4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol

C15H30O — CID 65151311

IUPAC4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol
SMILESCCCC(C)CC1(O)CCCC(CC)CC1
InChIInChI=1S/C15H30O/c1-4-7-13(3)12-15(16)10-6-8-14(5-2)9-11-15/h13-14,16H,4-12H2,1-3H3
InChIKeyVZMWCYBJVXKEML-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.53
Rot. Bonds5

About 4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol

4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol (PubChem CID 65151311) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol
PubChem CID65151311
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol
SMILESCCCC(C)CC1(O)CCCC(CC)CC1
InChIInChI=1S/C15H30O/c1-4-7-13(3)12-15(16)10-6-8-14(5-2)9-11-15/h13-14,16H,4-12H2,1-3H3
InChIKeyVZMWCYBJVXKEML-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-(2-methylbutyl)cyclohexan-1-ol
CID 65147481
3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol
CID 65154059
4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol
CID 82713966
1-but-3-ynyl-4-ethylcycloheptan-1-ol
CID 65085476
[3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine
CID 65401872
4-ethyl-1-propan-2-ylcycloheptan-1-ol
CID 65085832
1-(2-ethylhexyl)-4-propylcycloheptan-1-ol
CID 65090653
3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65145951
4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 65115854
4-methyl-1-(2-methylpentyl)cycloheptan-1-amine
CID 65080308
3-ethyl-1-(3-methylbutyl)cyclopentan-1-ol
CID 65154263
1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane
CID 103285066

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol (CID 65151311) is 4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol is CCCC(C)CC1(O)CCCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol?
The InChIKey is VZMWCYBJVXKEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-7-13(3)12-15(16)10-6-8-14(5-2)9-11-15/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol?
4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol is sourced from PubChem (CID 65151311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).