(1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol

C20H32O — CID 11022554

IUPAC(1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol
SMILESC=C(CCC=C(C)C)[C@@H]1C[C@@H](O)[C@@]2(C)[C@@H]1[C@@H]1[C@H](C)CC[C@@H]12
InChIInChI=1S/C20H32O/c1-12(2)7-6-8-13(3)15-11-17(21)20(5)16-10-9-14(4)18(16)19(15)20/h7,14-19,21H,3,6,8-11H2,1-2,4-5H3/t14-,15+,16+,17-,18-,19+,20+/m1/s1
InChIKeyZTZWQWOJZIDUPR-SCDLFQHWSA-N
MW288.47 g/mol
LogP4.97
Rot. Bonds4

About (1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol

(1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol (PubChem CID 11022554) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is (1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol.

Molecular Properties

Compound Name(1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol
PubChem CID11022554
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name(1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol
SMILESC=C(CCC=C(C)C)[C@@H]1C[C@@H](O)[C@@]2(C)[C@@H]1[C@@H]1[C@H](C)CC[C@@H]12
InChIInChI=1S/C20H32O/c1-12(2)7-6-8-13(3)15-11-17(21)20(5)16-10-9-14(4)18(16)19(15)20/h7,14-19,21H,3,6,8-11H2,1-2,4-5H3/t14-,15+,16+,17-,18-,19+,20+/m1/s1
InChIKeyZTZWQWOJZIDUPR-SCDLFQHWSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol with MolForge

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Related Compounds

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CID 118736652
(1R,3aS,4S,7R,8aR)-1,4-dimethyl-7-(6-methylhepta-1,5-dien-2-yl)-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
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methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide
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1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 527060
2,3,4-trihydroxy-3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-one
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3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene
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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol?
The IUPAC name of (1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol (CID 11022554) is (1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol.
What is the SMILES notation for (1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol?
The canonical SMILES for (1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol is C=C(CCC=C(C)C)[C@@H]1C[C@@H](O)[C@@]2(C)[C@@H]1[C@@H]1[C@H](C)CC[C@@H]12.
What is the InChIKey of (1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol?
The InChIKey is ZTZWQWOJZIDUPR-SCDLFQHWSA-N. The full InChI is InChI=1S/C20H32O/c1-12(2)7-6-8-13(3)15-11-17(21)20(5)16-10-9-14(4)18(16)19(15)20/h7,14-19,21H,3,6,8-11H2,1-2,4-5H3/t14-,15+,16+,17-,18-,19+,20+/m1/s1.
What are the key properties of (1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol?
(1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol has a molecular weight of 288.47 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol is sourced from PubChem (CID 11022554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).