2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol

C15H26O — CID 85361278

IUPAC2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol
SMILESCC(C)=CCCC1(C)CCC(C)(O)C2CC21
InChIInChI=1S/C15H26O/c1-11(2)6-5-7-14(3)8-9-15(4,16)13-10-12(13)14/h6,12-13,16H,5,7-10H2,1-4H3
InChIKeyPFCPCHNLDBDZOS-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds3

About 2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol

2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol (PubChem CID 85361278) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol
PubChem CID85361278
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol
SMILESCC(C)=CCCC1(C)CCC(C)(O)C2CC21
InChIInChI=1S/C15H26O/c1-11(2)6-5-7-14(3)8-9-15(4,16)13-10-12(13)14/h6,12-13,16H,5,7-10H2,1-4H3
InChIKeyPFCPCHNLDBDZOS-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.92
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

(6R,7R)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane
CID 56928116
(1S,1aR,4R,4aS,7R,7aS,7bR)-1,4,7-trimethyl-1-(4-methylpent-3-enyl)-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
CID 10494901
1,4,7-trimethyl-1-(4-methylpent-3-enyl)-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
CID 85159507
cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane
CID 102318246
(1S,5R)-6-methyl-6-(4-methylpent-3-enyl)-3-oxabicyclo[3.1.0]hexane
CID 101410501
(1R,2R,5R,7R,10R,11R)-10-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2,7,10-trimethyl-6-oxatricyclo[9.1.0.05,7]dodecan-2-ol
CID 163190403
(1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
CID 163060993
2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane
CID 91750490
2-methylbicyclo[1.1.0]butan-2-ol
CID 123776938
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
(1S)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
CID 90472923
1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane
CID 165442832

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol?
The IUPAC name of 2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol (CID 85361278) is 2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for 2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for 2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol is CC(C)=CCCC1(C)CCC(C)(O)C2CC21.
What is the InChIKey of 2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol?
The InChIKey is PFCPCHNLDBDZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)6-5-7-14(3)8-9-15(4,16)13-10-12(13)14/h6,12-13,16H,5,7-10H2,1-4H3.
What are the key properties of 2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol?
2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 85361278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).