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

C12H22O2 — CID 104610355

IUPAC1-(1-methoxycyclopentyl)hex-5-en-1-ol
SMILESC=CCCCC(O)C1(OC)CCCC1
InChIInChI=1S/C12H22O2/c1-3-4-5-8-11(13)12(14-2)9-6-7-10-12/h3,11,13H,1,4-10H2,2H3
InChIKeyGNQHKEZNHPTWBZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.66
Rot. Bonds6

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

1-(1-methoxycyclopentyl)hex-5-en-1-ol (PubChem CID 104610355) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)hex-5-en-1-ol
PubChem CID104610355
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(1-methoxycyclopentyl)hex-5-en-1-ol
SMILESC=CCCCC(O)C1(OC)CCCC1
InChIInChI=1S/C12H22O2/c1-3-4-5-8-11(13)12(14-2)9-6-7-10-12/h3,11,13H,1,4-10H2,2H3
InChIKeyGNQHKEZNHPTWBZ-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.66
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'}

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Related Compounds

1-(1-methoxycycloheptyl)hex-5-en-1-ol
CID 116756031
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-methoxycyclopentyl)oct-7-enylhydrazine
CID 107012644
1-(1-methoxycyclobutyl)-N-methyloct-7-en-1-amine
CID 107009678
2-methoxy-1-(1-methoxycyclopentyl)ethanol
CID 104610524
1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol
CID 104610434
1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol
CID 116754863
1-(1-hydroxyoct-7-enyl)cycloheptan-1-ol
CID 107008754

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)hex-5-en-1-ol?
The IUPAC name of 1-(1-methoxycyclopentyl)hex-5-en-1-ol (CID 104610355) is 1-(1-methoxycyclopentyl)hex-5-en-1-ol.
What is the SMILES notation for 1-(1-methoxycyclopentyl)hex-5-en-1-ol?
The canonical SMILES for 1-(1-methoxycyclopentyl)hex-5-en-1-ol is C=CCCCC(O)C1(OC)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)hex-5-en-1-ol?
The InChIKey is GNQHKEZNHPTWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-5-8-11(13)12(14-2)9-6-7-10-12/h3,11,13H,1,4-10H2,2H3.
What are the key properties of 1-(1-methoxycyclopentyl)hex-5-en-1-ol?
1-(1-methoxycyclopentyl)hex-5-en-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)hex-5-en-1-ol is sourced from PubChem (CID 104610355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).