(1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol

C15H24O2 — CID 15161417

IUPAC(1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol
SMILESCC1(C)CC2=C(CO)[C@H]3C[C@H](O)[C@@]3(C)C[C@@H]2C1
InChIInChI=1S/C15H24O2/c1-14(2)5-9-6-15(3)12(4-13(15)17)11(8-16)10(9)7-14/h9,12-13,16-17H,4-8H2,1-3H3/t9-,12+,13-,15-/m0/s1
InChIKeyBHLLKLUQUGBURV-AETLKFDBSA-N
MW236.35 g/mol
LogP2.50
Rot. Bonds1

About (1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol

(1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol (PubChem CID 15161417) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol.

Molecular Properties

Compound Name(1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol
PubChem CID15161417
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol
SMILESCC1(C)CC2=C(CO)[C@H]3C[C@H](O)[C@@]3(C)C[C@@H]2C1
InChIInChI=1S/C15H24O2/c1-14(2)5-9-6-15(3)12(4-13(15)17)11(8-16)10(9)7-14/h9,12-13,16-17H,4-8H2,1-3H3/t9-,12+,13-,15-/m0/s1
InChIKeyBHLLKLUQUGBURV-AETLKFDBSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol?
The IUPAC name of (1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol (CID 15161417) is (1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol.
What is the SMILES notation for (1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol?
The canonical SMILES for (1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol is CC1(C)CC2=C(CO)[C@H]3C[C@H](O)[C@@]3(C)C[C@@H]2C1.
What is the InChIKey of (1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol?
The InChIKey is BHLLKLUQUGBURV-AETLKFDBSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2)5-9-6-15(3)12(4-13(15)17)11(8-16)10(9)7-14/h9,12-13,16-17H,4-8H2,1-3H3/t9-,12+,13-,15-/m0/s1.
What are the key properties of (1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol?
(1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol has a molecular weight of 236.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S,6R)-7-(hydroxymethyl)-3,10,10-trimethyltricyclo[6.3.0.03,6]undec-7-en-4-ol is sourced from PubChem (CID 15161417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).