1-cyclopropyl-5-methoxyhept-4-en-3-ol

C11H20O2 — CID 123296150

IUPAC1-cyclopropyl-5-methoxyhept-4-en-3-ol
SMILESCCC(=CC(O)CCC1CC1)OC
InChIInChI=1S/C11H20O2/c1-3-11(13-2)8-10(12)7-6-9-4-5-9/h8-10,12H,3-7H2,1-2H3
InChIKeyGZTCDWNBTJPJNN-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds6

About 1-cyclopropyl-5-methoxyhept-4-en-3-ol

1-cyclopropyl-5-methoxyhept-4-en-3-ol (PubChem CID 123296150) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclopropyl-5-methoxyhept-4-en-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-5-methoxyhept-4-en-3-ol
PubChem CID123296150
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclopropyl-5-methoxyhept-4-en-3-ol
SMILESCCC(=CC(O)CCC1CC1)OC
InChIInChI=1S/C11H20O2/c1-3-11(13-2)8-10(12)7-6-9-4-5-9/h8-10,12H,3-7H2,1-2H3
InChIKeyGZTCDWNBTJPJNN-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropylheptane-3,4-diol
CID 103455036
4-(4-ethylcyclohexyl)butan-2-ol
CID 64774700
1-cyclopropyl-4,5-dimethylhexan-3-ol
CID 115810725
methyl 2-[4-(3-amino-3-hydroxypropyl)cyclohexyl]acetate
CID 156555306
1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol
CID 116713486
3-ethylpentylcyclopropane
CID 91030831
1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine
CID 79197921
1-cyclopropyl-4-ethoxy-4-methylhexan-3-ol
CID 116752325
methyl 4-[5-(4-methoxycarbonylcyclohexyl)-3-methylidenepentyl]cyclohexane-1-carboxylate
CID 142000663
(3-cyclopropyl-1-hydroxypropyl) 2-(hydroxymethyl)-2-methyl-3-oxobutanoate
CID 70895459
1-cyclopropylundecan-3-ol
CID 115810831
1-cyclopropyl-5-methylheptan-3-ol
CID 115810732

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methoxyhept-4-en-3-ol?
The IUPAC name of 1-cyclopropyl-5-methoxyhept-4-en-3-ol (CID 123296150) is 1-cyclopropyl-5-methoxyhept-4-en-3-ol.
What is the SMILES notation for 1-cyclopropyl-5-methoxyhept-4-en-3-ol?
The canonical SMILES for 1-cyclopropyl-5-methoxyhept-4-en-3-ol is CCC(=CC(O)CCC1CC1)OC.
What is the InChIKey of 1-cyclopropyl-5-methoxyhept-4-en-3-ol?
The InChIKey is GZTCDWNBTJPJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-11(13-2)8-10(12)7-6-9-4-5-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-methoxyhept-4-en-3-ol?
1-cyclopropyl-5-methoxyhept-4-en-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methoxyhept-4-en-3-ol is sourced from PubChem (CID 123296150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).