1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol

C10H16O — CID 12955798

IUPAC1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol
SMILESC=C(C)C1CC(O)C2(C)CC12
InChIInChI=1S/C10H16O/c1-6(2)7-4-9(11)10(3)5-8(7)10/h7-9,11H,1,4-5H2,2-3H3
InChIKeyQAWVYFPWCFFLIN-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About 1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol

1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol (PubChem CID 12955798) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol
PubChem CID12955798
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol
SMILESC=C(C)C1CC(O)C2(C)CC12
InChIInChI=1S/C10H16O/c1-6(2)7-4-9(11)10(3)5-8(7)10/h7-9,11H,1,4-5H2,2-3H3
InChIKeyQAWVYFPWCFFLIN-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

(1S,3S,4R,5R)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol
CID 12304610
Sabinol
CID 94147
(1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol
CID 10550
Thujol
CID 12304603
(+)-Thujan-3-ol
CID 12304609
cis-Thujanol
CID 3034320
1,7-Dimethyl-7-(4-methylpent-3-enyl)bicyclo(2.2.1)heptan-2-ol
CID 5315645
Camphenol, 6-
CID 526611
4(10)-Thujen-3-ol, (1S,3R,5S)-(+)-
CID 564260
(-)-cis-Sabinol
CID 42626427
(1R,1aR,1bS,5R,5aR,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol
CID 101949829
Neothujanol
CID 12304607

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol?
The IUPAC name of 1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol (CID 12955798) is 1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for 1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for 1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol is C=C(C)C1CC(O)C2(C)CC12.
What is the InChIKey of 1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol?
The InChIKey is QAWVYFPWCFFLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6(2)7-4-9(11)10(3)5-8(7)10/h7-9,11H,1,4-5H2,2-3H3.
What are the key properties of 1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol?
1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol 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 1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 12955798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).