1-(1-hexylcyclopropyl)ethanol

C11H22O — CID 106798180

IUPAC1-(1-hexylcyclopropyl)ethanol
SMILESCCCCCCC1(C(C)O)CC1
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-11(8-9-11)10(2)12/h10,12H,3-9H2,1-2H3
InChIKeyKLSGTOVPTGHPDU-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.12
Rot. Bonds6

About 1-(1-hexylcyclopropyl)ethanol

1-(1-hexylcyclopropyl)ethanol (PubChem CID 106798180) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(1-hexylcyclopropyl)ethanol.

Molecular Properties

Compound Name1-(1-hexylcyclopropyl)ethanol
PubChem CID106798180
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-(1-hexylcyclopropyl)ethanol
SMILESCCCCCCC1(C(C)O)CC1
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-11(8-9-11)10(2)12/h10,12H,3-9H2,1-2H3
InChIKeyKLSGTOVPTGHPDU-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-methylbutyl)cyclopropyl]ethanol
CID 106798094
2-(1-octylcyclopentyl)propanoic acid
CID 175475945
octane;propan-2-ol
CID 160746796
(2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine
CID 175488077
1-heptadecylcyclopropan-1-ol
CID 2802251
1-(1-butylcyclobutyl)hexan-1-ol
CID 143267865
3-[1-(6-carboxyhexyl)cyclopropyl]-2-methylundecanoic acid
CID 54291880
4-nonyl-1-propan-2-ylpiperidin-4-ol
CID 65146910
1-propyl-1-undecan-4-ylcyclopropane
CID 123635961
2-hexyl-2-propan-2-yloxirane
CID 170634762
1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexylcyclopropyl)ethanol?
The IUPAC name of 1-(1-hexylcyclopropyl)ethanol (CID 106798180) is 1-(1-hexylcyclopropyl)ethanol.
What is the SMILES notation for 1-(1-hexylcyclopropyl)ethanol?
The canonical SMILES for 1-(1-hexylcyclopropyl)ethanol is CCCCCCC1(C(C)O)CC1.
What is the InChIKey of 1-(1-hexylcyclopropyl)ethanol?
The InChIKey is KLSGTOVPTGHPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-4-5-6-7-11(8-9-11)10(2)12/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(1-hexylcyclopropyl)ethanol?
1-(1-hexylcyclopropyl)ethanol has a molecular weight of 170.30 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexylcyclopropyl)ethanol is sourced from PubChem (CID 106798180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).