(4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol

C20H30O3 — CID 42617188

IUPAC(4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol
SMILESC/C1=C/CC[C@@]2(C)O[C@H]2[C@@]2(O)OCC3=C2CC[C@@H](C)[C@]3(C)CC1
InChIInChI=1S/C20H30O3/c1-13-6-5-10-19(4)17(23-19)20(21)15-8-7-14(2)18(3,11-9-13)16(15)12-22-20/h6,14,17,21H,5,7-12H2,1-4H3/b13-6-/t14-,17-,18+,19-,20+/m1/s1
InChIKeyOGWUAOXLICPHRC-QMSUQCKXSA-N
MW318.46 g/mol
LogP4.12
Rot. Bonds

About (4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol

(4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol (PubChem CID 42617188) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol.

Molecular Properties

Compound Name(4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol
PubChem CID42617188
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol
SMILESC/C1=C/CC[C@@]2(C)O[C@H]2[C@@]2(O)OCC3=C2CC[C@@H](C)[C@]3(C)CC1
InChIInChI=1S/C20H30O3/c1-13-6-5-10-19(4)17(23-19)20(21)15-8-7-14(2)18(3,11-9-13)16(15)12-22-20/h6,14,17,21H,5,7-12H2,1-4H3/b13-6-/t14-,17-,18+,19-,20+/m1/s1
InChIKeyOGWUAOXLICPHRC-QMSUQCKXSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol 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,3R,4R,7E,11S,12S,13S)-3,4,7,11-tetramethyl-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-diene-12,13-diol
CID 11450461
4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene
CID 162855730
(1R,4Z,8Z,12S)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 93481800
(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 139596542
(1S,6S,8R,15R)-3,8,12-trimethyl-16-methylidene-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11-dien-15-ol
CID 162869434
(3S,5R,8E,12R,13R,14S)-14-hydroxy-5,9,12,13-tetramethyl-16-methylidene-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one
CID 95224745
(3S,5R,8E,12R,13S,14S)-14-hydroxy-5,9,12,13-tetramethyl-16-methylidene-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one
CID 95224744
(1R,3S,4S,7E,11S,18R)-3-methoxy-4,8,11,18-tetramethyl-2,14-dioxatricyclo[9.5.2.012,16]octadeca-7,12(16)-dien-15-one
CID 170990713
[(2R,3R,5S,8E,12S,13S,14S)-2-hydroxy-5,9,12,13-tetramethyl-16-methylidene-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-14-yl] acetate
CID 101442634
1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene
CID 73209089
(4E,8E,11S,12R)-4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),4,8-triene
CID 11334785
triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane
CID 42603941

Frequently Asked Questions

What is the IUPAC name of (4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol?
The IUPAC name of (4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol (CID 42617188) is (4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol.
What is the SMILES notation for (4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol?
The canonical SMILES for (4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol is C/C1=C/CC[C@@]2(C)O[C@H]2[C@@]2(O)OCC3=C2CC[C@@H](C)[C@]3(C)CC1.
What is the InChIKey of (4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol?
The InChIKey is OGWUAOXLICPHRC-QMSUQCKXSA-N. The full InChI is InChI=1S/C20H30O3/c1-13-6-5-10-19(4)17(23-19)20(21)15-8-7-14(2)18(3,11-9-13)16(15)12-22-20/h6,14,17,21H,5,7-12H2,1-4H3/b13-6-/t14-,17-,18+,19-,20+/m1/s1.
What are the key properties of (4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol?
(4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol has a molecular weight of 318.46 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol is sourced from PubChem (CID 42617188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).