[(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol

C15H24O — CID 14632890

IUPAC[(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol
SMILESC=C1CC[C@@]2(C)C[C@@H]1[C@]1(CO)CCC[C@]21C
InChIInChI=1S/C15H24O/c1-11-5-8-13(2)9-12(11)15(10-16)7-4-6-14(13,15)3/h12,16H,1,4-10H2,2-3H3/t12-,13-,14+,15+/m0/s1
InChIKeyDQTPTXNPJIWXSR-BYNSBNAKSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds1

About [(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol

[(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol (PubChem CID 14632890) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol.

Molecular Properties

Compound Name[(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol
PubChem CID14632890
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol
SMILESC=C1CC[C@@]2(C)C[C@@H]1[C@]1(CO)CCC[C@]21C
InChIInChI=1S/C15H24O/c1-11-5-8-13(2)9-12(11)15(10-16)7-4-6-14(13,15)3/h12,16H,1,4-10H2,2-3H3/t12-,13-,14+,15+/m0/s1
InChIKeyDQTPTXNPJIWXSR-BYNSBNAKSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol with MolForge

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CID 18503892
(1R)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]prop-2-en-1-ol
CID 18503917
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Suberosenol A
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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol?
The IUPAC name of [(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol (CID 14632890) is [(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol.
What is the SMILES notation for [(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol?
The canonical SMILES for [(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol is C=C1CC[C@@]2(C)C[C@@H]1[C@]1(CO)CCC[C@]21C.
What is the InChIKey of [(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol?
The InChIKey is DQTPTXNPJIWXSR-BYNSBNAKSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-8-13(2)9-12(11)15(10-16)7-4-6-14(13,15)3/h12,16H,1,4-10H2,2-3H3/t12-,13-,14+,15+/m0/s1.
What are the key properties of [(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol?
[(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,6R,7S)-6,7-dimethyl-10-methylidene-2-tricyclo[5.3.1.02,6]undecanyl]methanol is sourced from PubChem (CID 14632890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).