(2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol

C15H24O — CID 155929534

IUPAC(2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol
SMILESCC1=CC(C)(C)C23CCCC12[C@@](C)(O)CC3
InChIInChI=1S/C15H24O/c1-11-10-12(2,3)14-6-5-7-15(11,14)13(4,16)8-9-14/h10,16H,5-9H2,1-4H3/t13-,14?,15?/m0/s1
InChIKeyWAFFJCDTFBFQCN-NFOMZHRRSA-N
MW220.36 g/mol
LogP3.67
Rot. Bonds

About (2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol

(2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol (PubChem CID 155929534) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol.

Molecular Properties

Compound Name(2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol
PubChem CID155929534
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol
SMILESCC1=CC(C)(C)C23CCCC12[C@@](C)(O)CC3
InChIInChI=1S/C15H24O/c1-11-10-12(2,3)14-6-5-7-15(11,14)13(4,16)8-9-14/h10,16H,5-9H2,1-4H3/t13-,14?,15?/m0/s1
InChIKeyWAFFJCDTFBFQCN-NFOMZHRRSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol?
The IUPAC name of (2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol (CID 155929534) is (2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol.
What is the SMILES notation for (2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol?
The canonical SMILES for (2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol is CC1=CC(C)(C)C23CCCC12[C@@](C)(O)CC3.
What is the InChIKey of (2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol?
The InChIKey is WAFFJCDTFBFQCN-NFOMZHRRSA-N. The full InChI is InChI=1S/C15H24O/c1-11-10-12(2,3)14-6-5-7-15(11,14)13(4,16)8-9-14/h10,16H,5-9H2,1-4H3/t13-,14?,15?/m0/s1.
What are the key properties of (2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol?
(2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol is sourced from PubChem (CID 155929534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).