2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol

C12H22O — CID 130578288

IUPAC2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol
SMILESCC1CCC1(O)CC1(C)CCCC1
InChIInChI=1S/C12H22O/c1-10-5-8-12(10,13)9-11(2)6-3-4-7-11/h10,13H,3-9H2,1-2H3
InChIKeyRWOIFHSOTCGZGX-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds2

About 2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol

2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol (PubChem CID 130578288) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol
PubChem CID130578288
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol
SMILESCC1CCC1(O)CC1(C)CCCC1
InChIInChI=1S/C12H22O/c1-10-5-8-12(10,13)9-11(2)6-3-4-7-11/h10,13H,3-9H2,1-2H3
InChIKeyRWOIFHSOTCGZGX-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[(1-methylcyclopentyl)methyl]cyclopentan-1-amine
CID 131021374
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol
CID 56631028
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
2-methyl-1-[2-(oxolan-2-yl)ethyl]cyclobutan-1-ol
CID 130554995
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
CID 131195965
(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 3032717
methanol;1,1,2-trimethylcyclohexane
CID 70292509
(1-methylcyclododecyl)methanol
CID 70130772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol?
The IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol (CID 130578288) is 2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol is CC1CCC1(O)CC1(C)CCCC1.
What is the InChIKey of 2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol?
The InChIKey is RWOIFHSOTCGZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10-5-8-12(10,13)9-11(2)6-3-4-7-11/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol?
2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 130578288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).