(1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol

C20H34O — CID 86289538

IUPAC(1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol
SMILESCC(C)[C@@H]1CC[C@@]2(C)C[C@H]3[C@@H](C)CC[C@@H]3[C@](C)(O)C/C=C/12
InChIInChI=1S/C20H34O/c1-13(2)15-8-10-19(4)12-16-14(3)6-7-18(16)20(5,21)11-9-17(15)19/h9,13-16,18,21H,6-8,10-12H2,1-5H3/b17-9-/t14-,15-,16-,18-,19-,20+/m0/s1
InChIKeyJEGYHIKVYHOKQY-IWDUGTBHSA-N
MW290.49 g/mol
LogP5.19
Rot. Bonds1

About (1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol

(1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol (PubChem CID 86289538) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol.

Molecular Properties

Compound Name(1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol
PubChem CID86289538
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol
SMILESCC(C)[C@@H]1CC[C@@]2(C)C[C@H]3[C@@H](C)CC[C@@H]3[C@](C)(O)C/C=C/12
InChIInChI=1S/C20H34O/c1-13(2)15-8-10-19(4)12-16-14(3)6-7-18(16)20(5,21)11-9-17(15)19/h9,13-16,18,21H,6-8,10-12H2,1-5H3/b17-9-/t14-,15-,16-,18-,19-,20+/m0/s1
InChIKeyJEGYHIKVYHOKQY-IWDUGTBHSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol?
The IUPAC name of (1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol (CID 86289538) is (1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol.
What is the SMILES notation for (1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol?
The canonical SMILES for (1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol is CC(C)[C@@H]1CC[C@@]2(C)C[C@H]3[C@@H](C)CC[C@@H]3[C@](C)(O)C/C=C/12.
What is the InChIKey of (1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol?
The InChIKey is JEGYHIKVYHOKQY-IWDUGTBHSA-N. The full InChI is InChI=1S/C20H34O/c1-13(2)15-8-10-19(4)12-16-14(3)6-7-18(16)20(5,21)11-9-17(15)19/h9,13-16,18,21H,6-8,10-12H2,1-5H3/b17-9-/t14-,15-,16-,18-,19-,20+/m0/s1.
What are the key properties of (1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol?
(1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol has a molecular weight of 290.49 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol is sourced from PubChem (CID 86289538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).