(3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol

C15H24O2 — CID 15161415

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

About (3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol

(3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol (PubChem CID 15161415) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol.

Molecular Properties

Compound Name(3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol
PubChem CID15161415
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol
SMILESCC1(C)CC2=C(CO)[C@H]3[C@H](O)C[C@@]3(C)C[C@@H]2C1
InChIInChI=1S/C15H24O2/c1-14(2)4-9-5-15(3)7-12(17)13(15)11(8-16)10(9)6-14/h9,12-13,16-17H,4-8H2,1-3H3/t9-,12+,13-,15+/m0/s1
InChIKeyLQERXRGQUOMUGB-BYDSVVRCSA-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 (3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol?
The IUPAC name of (3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol (CID 15161415) is (3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol.
What is the SMILES notation for (3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol?
The canonical SMILES for (3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol is CC1(C)CC2=C(CO)[C@H]3[C@H](O)C[C@@]3(C)C[C@@H]2C1.
What is the InChIKey of (3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol?
The InChIKey is LQERXRGQUOMUGB-BYDSVVRCSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2)4-9-5-15(3)7-12(17)13(15)11(8-16)10(9)6-14/h9,12-13,16-17H,4-8H2,1-3H3/t9-,12+,13-,15+/m0/s1.
What are the key properties of (3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol?
(3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-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 (3S,4R,6R,8S)-2-(hydroxymethyl)-6,10,10-trimethyltricyclo[6.3.0.03,6]undec-1-en-4-ol is sourced from PubChem (CID 15161415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).