(1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane

C30H48O — CID 25087810

IUPAC(1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
SMILESC=C[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](OC)[C@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@]23C)C1(C)C
InChIInChI=1S/C30H48O/c1-8-21-25(27(21,3)4)15-18(2)22-9-10-23-20-16-26(31-7)30-17-19(30)11-14-29(30,6)24(20)12-13-28(22,23)5/h8,18-26H,1,9-17H2,2-7H3/t18-,19-,20+,21-,22-,23+,24+,25+,26-,28-,29-,30+/m1/s1
InChIKeyOGWXBOHZOJMVSM-MHRSQGOESA-N
MW424.71 g/mol
LogP7.75
Rot. Bonds5

About (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane

(1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane (PubChem CID 25087810) has the molecular formula C30H48O and a molecular weight of 424.71 g/mol. Its IUPAC name is (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane.

Molecular Properties

Compound Name(1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
PubChem CID25087810
Molecular FormulaC30H48O
Molecular Weight424.71 g/mol
Exact Mass424.37
IUPAC Name(1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
SMILESC=C[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](OC)[C@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@]23C)C1(C)C
InChIInChI=1S/C30H48O/c1-8-21-25(27(21,3)4)15-18(2)22-9-10-23-20-16-26(31-7)30-17-19(30)11-14-29(30,6)24(20)12-13-28(22,23)5/h8,18-26H,1,9-17H2,2-7H3/t18-,19-,20+,21-,22-,23+,24+,25+,26-,28-,29-,30+/m1/s1
InChIKeyOGWXBOHZOJMVSM-MHRSQGOESA-N
XLogP7.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,3S)-3-[(2R)-2-[(1S,2R,5R,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl]-2,2-dimethylcyclopropane-1-carbaldehyde
CID 25087808
(1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,2S,3R)-2-bromo-2-methyl-3-propan-2-ylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
CID 25089479
(1S,2R,5R,7R,8R,10S,11S,14R,15S)-14-[(2S)-1-iodopropan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
CID 11070488
(2S)-2-[(1S,2R,5R,7R,8R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propan-1-ol
CID 15593576
(1S,2R,5R,7R,8S,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
CID 92526652
14-(5,6-dimethylheptan-2-yl)-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
CID 72802826
(4R)-4-[(1S,2R,5S,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]pentan-1-ol
CID 22841273
[(2R)-2-[(1S,2R,5R,7R,8R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl] acetate
CID 99576105
[(2R)-2-[(1S,2R,5R,7R,8S,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl] acetate
CID 99576103
(2R,7R,15R)-14-(5-ethyl-6-methylheptan-2-yl)-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
CID 70671813
(3R,6R)-6-[(1S,2R,5S,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]-2-methylheptane-2,3-diol
CID 22797857
(2S)-2-[(1S,2R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propanal
CID 169312068

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane?
The IUPAC name of (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane (CID 25087810) is (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane.
What is the SMILES notation for (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane?
The canonical SMILES for (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane is C=C[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](OC)[C@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@]23C)C1(C)C.
What is the InChIKey of (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane?
The InChIKey is OGWXBOHZOJMVSM-MHRSQGOESA-N. The full InChI is InChI=1S/C30H48O/c1-8-21-25(27(21,3)4)15-18(2)22-9-10-23-20-16-26(31-7)30-17-19(30)11-14-29(30,6)24(20)12-13-28(22,23)5/h8,18-26H,1,9-17H2,2-7H3/t18-,19-,20+,21-,22-,23+,24+,25+,26-,28-,29-,30+/m1/s1.
What are the key properties of (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane?
(1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane has a molecular weight of 424.71 g/mol, XLogP of 7.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-1-[(1S,3R)-3-ethenyl-2,2-dimethylcyclopropyl]propan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane is sourced from PubChem (CID 25087810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).