2-cycloheptyl-2-methoxypropan-1-ol

C11H22O2 — CID 105442303

IUPAC2-cycloheptyl-2-methoxypropan-1-ol
SMILESCOC(C)(CO)C1CCCCCC1
InChIInChI=1S/C11H22O2/c1-11(9-12,13-2)10-7-5-3-4-6-8-10/h10,12H,3-9H2,1-2H3
InChIKeyTZLJEXJJCRFKMP-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds3

About 2-cycloheptyl-2-methoxypropan-1-ol

2-cycloheptyl-2-methoxypropan-1-ol (PubChem CID 105442303) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-cycloheptyl-2-methoxypropan-1-ol.

Molecular Properties

Compound Name2-cycloheptyl-2-methoxypropan-1-ol
PubChem CID105442303
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-cycloheptyl-2-methoxypropan-1-ol
SMILESCOC(C)(CO)C1CCCCCC1
InChIInChI=1S/C11H22O2/c1-11(9-12,13-2)10-7-5-3-4-6-8-10/h10,12H,3-9H2,1-2H3
InChIKeyTZLJEXJJCRFKMP-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cycloheptyl-3-methoxybutanoic acid
CID 105467922
2-cycloheptyl-2-methylpropan-1-ol
CID 82936558
(1-cyclopentyl-1-methoxyethyl)cyclopentane
CID 70648632
3-cyclobutyl-3-methoxybutan-1-amine
CID 105430822
[difluoro(methoxy)methyl]cyclohexane
CID 14491590
(1,3-dimethoxy-2-methylpropan-2-yl)cyclopentane
CID 89106500
(2R)-2-cyclohexyl-2-(2-methoxyethylamino)propan-1-ol
CID 96740613
methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate
CID 105452919
2-cyclooctylbutan-2-yl acetate
CID 177097469
2-cyclohexylpropane-1,2,3-triol
CID 102037318
(2R)-2-cyclohexyl-2-methylbut-3-en-1-ol
CID 125485438
2-cyclooctylpropan-2-ol
CID 27966

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2-methoxypropan-1-ol?
The IUPAC name of 2-cycloheptyl-2-methoxypropan-1-ol (CID 105442303) is 2-cycloheptyl-2-methoxypropan-1-ol.
What is the SMILES notation for 2-cycloheptyl-2-methoxypropan-1-ol?
The canonical SMILES for 2-cycloheptyl-2-methoxypropan-1-ol is COC(C)(CO)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-2-methoxypropan-1-ol?
The InChIKey is TZLJEXJJCRFKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-11(9-12,13-2)10-7-5-3-4-6-8-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-cycloheptyl-2-methoxypropan-1-ol?
2-cycloheptyl-2-methoxypropan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2-methoxypropan-1-ol is sourced from PubChem (CID 105442303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).