(1-butylcyclobutyl)methanol

C9H18O — CID 12786214

IUPAC(1-butylcyclobutyl)methanol
SMILESCCCCC1(CO)CCC1
InChIInChI=1S/C9H18O/c1-2-3-5-9(8-10)6-4-7-9/h10H,2-8H2,1H3
InChIKeyWMBMIDRDNVRMPA-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.34
Rot. Bonds4

About (1-butylcyclobutyl)methanol

(1-butylcyclobutyl)methanol (PubChem CID 12786214) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (1-butylcyclobutyl)methanol.

Molecular Properties

Compound Name(1-butylcyclobutyl)methanol
PubChem CID12786214
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(1-butylcyclobutyl)methanol
SMILESCCCCC1(CO)CCC1
InChIInChI=1S/C9H18O/c1-2-3-5-9(8-10)6-4-7-9/h10H,2-8H2,1H3
InChIKeyWMBMIDRDNVRMPA-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-hexylcyclohexyl)methanol
CID 66024993
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
[1-(3-chloropropyl)cyclobutyl]methanol
CID 55298559
(4-octyloxan-4-yl)methanol
CID 66024090
(1-propylcyclopropyl)methanol
CID 66026334
(3-butylpyrrolidin-3-yl)methanol
CID 66059430
(3-octyloxan-3-yl)methanol
CID 66058603
1-butyl-1-(1-ethylcyclohexyl)cyclohexane
CID 173123724
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
1,1-di(nonyl)cyclopentane
CID 154318487
1,1-dioctylcyclopentane
CID 54295272
1,1-dipentylcyclononane
CID 169026027

Frequently Asked Questions

What is the IUPAC name of (1-butylcyclobutyl)methanol?
The IUPAC name of (1-butylcyclobutyl)methanol (CID 12786214) is (1-butylcyclobutyl)methanol.
What is the SMILES notation for (1-butylcyclobutyl)methanol?
The canonical SMILES for (1-butylcyclobutyl)methanol is CCCCC1(CO)CCC1.
What is the InChIKey of (1-butylcyclobutyl)methanol?
The InChIKey is WMBMIDRDNVRMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-2-3-5-9(8-10)6-4-7-9/h10H,2-8H2,1H3.
What are the key properties of (1-butylcyclobutyl)methanol?
(1-butylcyclobutyl)methanol has a molecular weight of 142.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylcyclobutyl)methanol is sourced from PubChem (CID 12786214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).