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

C14H26O2 — CID 116756031

IUPAC1-(1-methoxycycloheptyl)hex-5-en-1-ol
SMILESC=CCCCC(O)C1(OC)CCCCCC1
InChIInChI=1S/C14H26O2/c1-3-4-7-10-13(15)14(16-2)11-8-5-6-9-12-14/h3,13,15H,1,4-12H2,2H3
InChIKeyDDTQUKRHGNQXCL-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.44
Rot. Bonds6

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

1-(1-methoxycycloheptyl)hex-5-en-1-ol (PubChem CID 116756031) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)hex-5-en-1-ol
PubChem CID116756031
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(1-methoxycycloheptyl)hex-5-en-1-ol
SMILESC=CCCCC(O)C1(OC)CCCCCC1
InChIInChI=1S/C14H26O2/c1-3-4-7-10-13(15)14(16-2)11-8-5-6-9-12-14/h3,13,15H,1,4-12H2,2H3
InChIKeyDDTQUKRHGNQXCL-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.44
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-methoxycycloheptyl)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-methoxycyclobutyl)hex-5-en-1-ol
CID 116710636
1-(1-ethoxycyclopentyl)oct-7-en-1-ol
CID 107008722
1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol
CID 116754607
1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
3-amino-1-(1-methoxycyclopentyl)propan-1-ol
CID 165445409
1-(1-hydroxyoct-7-enyl)cycloheptan-1-ol
CID 107008754
1-(1-methoxycyclopentyl)oct-7-enylhydrazine
CID 107012644
2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol
CID 116755946
4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol
CID 103035594
1-(1-methoxycyclobutyl)-N-methyloct-7-en-1-amine
CID 107009678
2-methoxy-1-(1-methoxycyclopentyl)ethanol
CID 104610524

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)hex-5-en-1-ol?
The IUPAC name of 1-(1-methoxycycloheptyl)hex-5-en-1-ol (CID 116756031) is 1-(1-methoxycycloheptyl)hex-5-en-1-ol.
What is the SMILES notation for 1-(1-methoxycycloheptyl)hex-5-en-1-ol?
The canonical SMILES for 1-(1-methoxycycloheptyl)hex-5-en-1-ol is C=CCCCC(O)C1(OC)CCCCCC1.
What is the InChIKey of 1-(1-methoxycycloheptyl)hex-5-en-1-ol?
The InChIKey is DDTQUKRHGNQXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-4-7-10-13(15)14(16-2)11-8-5-6-9-12-14/h3,13,15H,1,4-12H2,2H3.
What are the key properties of 1-(1-methoxycycloheptyl)hex-5-en-1-ol?
1-(1-methoxycycloheptyl)hex-5-en-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycycloheptyl)hex-5-en-1-ol is sourced from PubChem (CID 116756031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).