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

C15H24O3 — CID 42608174

IUPAC(3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol
SMILESC[C@@]1(CO)CC2=C(CO)[C@@]3(O)CC[C@@]3(C)C[C@@H]2C1
InChIInChI=1S/C15H24O3/c1-13(9-17)5-10-6-14(2)3-4-15(14,18)12(8-16)11(10)7-13/h10,16-18H,3-9H2,1-2H3/t10-,13-,14-,15-/m0/s1
InChIKeyAWMMKZCBBAJJAU-HJPIBITLSA-N
MW252.35 g/mol
LogP1.62
Rot. Bonds2

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

(3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol (PubChem CID 42608174) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol.

Molecular Properties

Compound Name(3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol
PubChem CID42608174
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol
SMILESC[C@@]1(CO)CC2=C(CO)[C@@]3(O)CC[C@@]3(C)C[C@@H]2C1
InChIInChI=1S/C15H24O3/c1-13(9-17)5-10-6-14(2)3-4-15(14,18)12(8-16)11(10)7-13/h10,16-18H,3-9H2,1-2H3/t10-,13-,14-,15-/m0/s1
InChIKeyAWMMKZCBBAJJAU-HJPIBITLSA-N
XLogP1.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol?
The IUPAC name of (3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol (CID 42608174) is (3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol.
What is the SMILES notation for (3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol?
The canonical SMILES for (3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol is C[C@@]1(CO)CC2=C(CO)[C@@]3(O)CC[C@@]3(C)C[C@@H]2C1.
What is the InChIKey of (3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol?
The InChIKey is AWMMKZCBBAJJAU-HJPIBITLSA-N. The full InChI is InChI=1S/C15H24O3/c1-13(9-17)5-10-6-14(2)3-4-15(14,18)12(8-16)11(10)7-13/h10,16-18H,3-9H2,1-2H3/t10-,13-,14-,15-/m0/s1.
What are the key properties of (3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol?
(3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol has a molecular weight of 252.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol is sourced from PubChem (CID 42608174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).