1-(1-methoxycyclobutyl)hex-5-en-1-ol

C11H20O2 — CID 116710636

IUPAC1-(1-methoxycyclobutyl)hex-5-en-1-ol
SMILESC=CCCCC(O)C1(OC)CCC1
InChIInChI=1S/C11H20O2/c1-3-4-5-7-10(12)11(13-2)8-6-9-11/h3,10,12H,1,4-9H2,2H3
InChIKeyYJJNXRQOGBNHJI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds6

About 1-(1-methoxycyclobutyl)hex-5-en-1-ol

1-(1-methoxycyclobutyl)hex-5-en-1-ol (PubChem CID 116710636) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)hex-5-en-1-ol
PubChem CID116710636
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(1-methoxycyclobutyl)hex-5-en-1-ol
SMILESC=CCCCC(O)C1(OC)CCC1
InChIInChI=1S/C11H20O2/c1-3-4-5-7-10(12)11(13-2)8-6-9-11/h3,10,12H,1,4-9H2,2H3
InChIKeyYJJNXRQOGBNHJI-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methoxycyclobutyl)hex-5-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methoxycyclopentyl)hex-5-en-1-ol
CID 104610355
1-(1-methoxycycloheptyl)hex-5-en-1-ol
CID 116756031
1-(1-ethoxycyclopentyl)oct-7-en-1-ol
CID 107008722
1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol
CID 116754607
1-(1-methoxycyclobutyl)-N-methyloct-7-en-1-amine
CID 107009678
1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol
CID 116754863
1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-ol
CID 116710452
3-amino-1-(1-methoxycyclopentyl)propan-1-ol
CID 165445409
1-(1-methoxycyclopentyl)oct-7-enylhydrazine
CID 107012644
N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine
CID 116714654
2-methoxy-1-(1-methoxycyclopentyl)ethanol
CID 104610524

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)hex-5-en-1-ol?
The IUPAC name of 1-(1-methoxycyclobutyl)hex-5-en-1-ol (CID 116710636) is 1-(1-methoxycyclobutyl)hex-5-en-1-ol.
What is the SMILES notation for 1-(1-methoxycyclobutyl)hex-5-en-1-ol?
The canonical SMILES for 1-(1-methoxycyclobutyl)hex-5-en-1-ol is C=CCCCC(O)C1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)hex-5-en-1-ol?
The InChIKey is YJJNXRQOGBNHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-7-10(12)11(13-2)8-6-9-11/h3,10,12H,1,4-9H2,2H3.
What are the key properties of 1-(1-methoxycyclobutyl)hex-5-en-1-ol?
1-(1-methoxycyclobutyl)hex-5-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)hex-5-en-1-ol is sourced from PubChem (CID 116710636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).