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

C10H16O — CID 10582

IUPAC(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol
SMILESCC1(C)C2CC=C(CO)C1C2
InChIInChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
InChIKeyRXBQNMWIQKOSCS-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

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

(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol (PubChem CID 10582) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol.

Molecular Properties

Compound Name(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol
PubChem CID10582
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol
SMILESCC1(C)C2CC=C(CO)C1C2
InChIInChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
InChIKeyRXBQNMWIQKOSCS-UHFFFAOYSA-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

Perillyl Alcohol
CID 10819
Nopol
CID 31408
Verbenol
CID 61126
Perilla alcohol
CID 369312
(+)-Perillyl alcohol
CID 11788398
beta-Nootkatol
CID 182645
Verbenol, (S)-cis-
CID 87839
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
CID 66963592
Nopol, (+-)-
CID 1272250
Verbenol, (S)-trans-
CID 88298
Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2S,5R)-rel-
CID 89664
(+)-cis-Verbenol
CID 164888

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol?
The IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol (CID 10582) is (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol.
What is the SMILES notation for (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol?
The canonical SMILES for (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol is CC1(C)C2CC=C(CO)C1C2.
What is the InChIKey of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol?
The InChIKey is RXBQNMWIQKOSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3.
What are the key properties of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol?
(6,6-dimethyl-2-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 (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol is sourced from PubChem (CID 10582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).