2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol

C10H16O — CID 154444856

IUPAC2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol
SMILESC=C1C2CC(C2)C(C)(C)C1O
InChIInChI=1S/C10H16O/c1-6-7-4-8(5-7)10(2,3)9(6)11/h7-9,11H,1,4-5H2,2-3H3
InChIKeyGSCYRJBOWIGUNV-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds

About 2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol

2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol (PubChem CID 154444856) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol
PubChem CID154444856
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol
SMILESC=C1C2CC(C2)C(C)(C)C1O
InChIInChI=1S/C10H16O/c1-6-7-4-8(5-7)10(2,3)9(6)11/h7-9,11H,1,4-5H2,2-3H3
InChIKeyGSCYRJBOWIGUNV-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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

2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol
CID 19065853
(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane
CID 173165956
(1R,3S,5S)-3-ethyl-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
CID 90954525
11,12-dimethylidenetetracyclo[5.3.2.03,9.05,9]dodecane
CID 123450547
(1S,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CID 11875864
(2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CID 2724867
(1R,6R)-7,7-dimethyl-2-methylidenebicyclo[4.1.1]oct-3-ene
CID 98164415
(1S)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
CID 90472923
(1R,2R,3S,4R,5S,7R,9S)-2,6,6-trimethyl-11-methylidenetricyclo[5.4.0.02,9]undecane-3,4,5-triol
CID 15977497
2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
4,4-dimethyl-2-methylideneoxolan-3-ol
CID 89151704
(3R,5S)-1-methyl-4-methylideneadamantane
CID 10034924

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol?
The IUPAC name of 2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol (CID 154444856) is 2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol.
What is the SMILES notation for 2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol?
The canonical SMILES for 2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol is C=C1C2CC(C2)C(C)(C)C1O.
What is the InChIKey of 2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol?
The InChIKey is GSCYRJBOWIGUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6-7-4-8(5-7)10(2,3)9(6)11/h7-9,11H,1,4-5H2,2-3H3.
What are the key properties of 2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol?
2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol is sourced from PubChem (CID 154444856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).