1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol

C12H22O — CID 115789262

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)C1C2CCCC21
InChIInChI=1S/C12H22O/c1-3-8(2)7-11(13)12-9-5-4-6-10(9)12/h8-13H,3-7H2,1-2H3
InChIKeyINVDWUOQZWBNME-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.83
Rot. Bonds4

About 1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol

1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol (PubChem CID 115789262) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol
PubChem CID115789262
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)C1C2CCCC21
InChIInChI=1S/C12H22O/c1-3-8(2)7-11(13)12-9-5-4-6-10(9)12/h8-13H,3-7H2,1-2H3
InChIKeyINVDWUOQZWBNME-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-N,3-dimethylpentan-1-amine
CID 115846091
3-methyl-1-(thian-2-yl)pentan-1-ol
CID 80621983
3-methyl-1-piperidin-3-ylpentan-1-ol
CID 80559058
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-methylpentan-1-ol
CID 115789319
1-cyclobutyl-3-methylhexan-1-ol
CID 64986952
1-(7-bicyclo[4.1.0]heptanyl)hexan-1-ol
CID 115784454
1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol
CID 115821566
1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol
CID 115789193
1-(6-bicyclo[3.1.0]hexanyl)-3-cyclopropylpropan-1-ol
CID 115810718
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
1-cyclopropyl-5-methylheptan-3-ol
CID 115810732
2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane
CID 123495492

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol (CID 115789262) is 1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol is CCC(C)CC(O)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol?
The InChIKey is INVDWUOQZWBNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-8(2)7-11(13)12-9-5-4-6-10(9)12/h8-13H,3-7H2,1-2H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol?
1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol is sourced from PubChem (CID 115789262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).