(1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane

C25H40 — CID 170835673

IUPAC(1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane
SMILESC=C1[C@@H]2CC[C@@]1(C)C[C@H]1[C@@H]2C[C@@]2(C)CC[C@]3(C)CC[C@H](C(C)C)[C@H]3[C@H]12
InChIInChI=1S/C25H40/c1-15(2)17-7-9-23(4)11-12-25(6)13-19-18-8-10-24(5,16(18)3)14-20(19)22(25)21(17)23/h15,17-22H,3,7-14H2,1-2,4-6H3/t17-,18+,19-,20+,21+,22+,23+,24+,25-/m1/s1
InChIKeyDCBBVKKSKRUHOH-NSOPITQOSA-N
MW340.60 g/mol
LogP7.10
Rot. Bonds1

About (1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane

(1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane (PubChem CID 170835673) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is (1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane.

Molecular Properties

Compound Name(1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane
PubChem CID170835673
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name(1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane
SMILESC=C1[C@@H]2CC[C@@]1(C)C[C@H]1[C@@H]2C[C@@]2(C)CC[C@]3(C)CC[C@H](C(C)C)[C@H]3[C@H]12
InChIInChI=1S/C25H40/c1-15(2)17-7-9-23(4)11-12-25(6)13-19-18-8-10-24(5,16(18)3)14-20(19)22(25)21(17)23/h15,17-22H,3,7-14H2,1-2,4-6H3/t17-,18+,19-,20+,21+,22+,23+,24+,25-/m1/s1
InChIKeyDCBBVKKSKRUHOH-NSOPITQOSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane 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

(1R,2S,3R,6R,9S,11R,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-ol
CID 162917025
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane
CID 616199
[(1R,4R,5R,6R,8S)-8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]methanol
CID 134715067
(1R,3R,7S,8R,9R)-1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecan-6-one
CID 177452385
8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,8-diol
CID 75221124
(2R,4aS,8aR)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163193268
(1R,2R,4aS,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163013781
(3a,5a,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,5b,6,7,7a,9,10,11,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-yl) acetate
CID 162983401
4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
CID 74931871
(1S,3aR,5aR,5bS,7aR,9S,10S,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,10-diol
CID 125036143
3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,10-diol
CID 3589280

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane?
The IUPAC name of (1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane (CID 170835673) is (1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane.
What is the SMILES notation for (1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane?
The canonical SMILES for (1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane is C=C1[C@@H]2CC[C@@]1(C)C[C@H]1[C@@H]2C[C@@]2(C)CC[C@]3(C)CC[C@H](C(C)C)[C@H]3[C@H]12.
What is the InChIKey of (1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane?
The InChIKey is DCBBVKKSKRUHOH-NSOPITQOSA-N. The full InChI is InChI=1S/C25H40/c1-15(2)17-7-9-23(4)11-12-25(6)13-19-18-8-10-24(5,16(18)3)14-20(19)22(25)21(17)23/h15,17-22H,3,7-14H2,1-2,4-6H3/t17-,18+,19-,20+,21+,22+,23+,24+,25-/m1/s1.
What are the key properties of (1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane?
(1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane has a molecular weight of 340.60 g/mol, XLogP of 7.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane is sourced from PubChem (CID 170835673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).