7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol

C13H24O — CID 130484131

IUPAC7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol
SMILESCC(C)(C)CCC1(O)C2CCCCC21
InChIInChI=1S/C13H24O/c1-12(2,3)8-9-13(14)10-6-4-5-7-11(10)13/h10-11,14H,4-9H2,1-3H3
InChIKeyPPZUSWZSYJAULU-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.36
Rot. Bonds2

About 7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol

7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 130484131) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol
PubChem CID130484131
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol
SMILESCC(C)(C)CCC1(O)C2CCCCC21
InChIInChI=1S/C13H24O/c1-12(2,3)8-9-13(14)10-6-4-5-7-11(10)13/h10-11,14H,4-9H2,1-3H3
InChIKeyPPZUSWZSYJAULU-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-(2-cyclopentylethyl)bicyclo[4.1.0]heptan-7-ol
CID 79330658
1-(3,3-dimethylbutyl)cycloheptan-1-ol
CID 65147849
7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
(1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol
CID 55301854
1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol
CID 65154010
3-(2-cyclopentylethyl)azetidin-3-ol
CID 126973784
7-(methylsulfonylmethyl)bicyclo[4.1.0]heptan-7-ol
CID 79331786
1-(3,3-dimethylbutyl)-3-methylcyclohexane-1-carboxylic acid
CID 65393866
1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane
CID 66035776
[1-(3,3-dimethylbutyl)cyclobutyl]methanol
CID 66023658
6-(cyclobutylmethyl)bicyclo[3.1.0]hexan-6-ol
CID 103166432
6-(cyclopropylmethyl)bicyclo[3.1.0]hexan-6-ol
CID 79331455

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol (CID 130484131) is 7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol is CC(C)(C)CCC1(O)C2CCCCC21.
What is the InChIKey of 7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is PPZUSWZSYJAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-12(2,3)8-9-13(14)10-6-4-5-7-11(10)13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol?
7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 196.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 130484131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).