[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol

C10H16O — CID 12600906

IUPAC[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
SMILESCC1=CC[C@@H]2C[C@H]1[C@]2(C)CO
InChIInChI=1S/C10H16O/c1-7-3-4-8-5-9(7)10(8,2)6-11/h3,8-9,11H,4-6H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyMDUZMEFTWKMVTF-OPRDCNLKSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About [(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol

[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol (PubChem CID 12600906) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is [(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol.

Molecular Properties

Compound Name[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
PubChem CID12600906
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
SMILESCC1=CC[C@@H]2C[C@H]1[C@]2(C)CO
InChIInChI=1S/C10H16O/c1-7-3-4-8-5-9(7)10(8,2)6-11/h3,8-9,11H,4-6H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyMDUZMEFTWKMVTF-OPRDCNLKSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-[(1S,5S,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]-2-methylpent-2-enal
CID 91747476
(Z)-5-(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methylpent-2-enoic acid
CID 122391231
(Z)-5-[(1S,5S,6S)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]-2-methylpent-2-enoic acid
CID 163039934
tetrakis((6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol);titanium
CID 177408471
styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 18955825
6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
CID 58426752
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
CID 101193017
7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
CID 13220762
(7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
CID 134964195
2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 170851609
3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol
CID 118072767
(1R,2R,3S,4S)-3-(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131133850

Frequently Asked Questions

What is the IUPAC name of [(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol?
The IUPAC name of [(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol (CID 12600906) is [(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol.
What is the SMILES notation for [(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol?
The canonical SMILES for [(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol is CC1=CC[C@@H]2C[C@H]1[C@]2(C)CO.
What is the InChIKey of [(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol?
The InChIKey is MDUZMEFTWKMVTF-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H16O/c1-7-3-4-8-5-9(7)10(8,2)6-11/h3,8-9,11H,4-6H2,1-2H3/t8-,9-,10-/m1/s1.
What are the key properties of [(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol?
[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol is sourced from PubChem (CID 12600906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).