3-hept-5-enoxypropylcyclohexane

C16H30O — CID 57074807

IUPAC3-hept-5-enoxypropylcyclohexane
SMILESCC=CCCCCOCCCC1CCCCC1
InChIInChI=1S/C16H30O/c1-2-3-4-5-9-14-17-15-10-13-16-11-7-6-8-12-16/h2-3,16H,4-15H2,1H3
InChIKeyUFUPSWJJSAXJIQ-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.11
Rot. Bonds9

About 3-hept-5-enoxypropylcyclohexane

3-hept-5-enoxypropylcyclohexane (PubChem CID 57074807) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 3-hept-5-enoxypropylcyclohexane.

Molecular Properties

Compound Name3-hept-5-enoxypropylcyclohexane
PubChem CID57074807
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name3-hept-5-enoxypropylcyclohexane
SMILESCC=CCCCCOCCCC1CCCCC1
InChIInChI=1S/C16H30O/c1-2-3-4-5-9-14-17-15-10-13-16-11-7-6-8-12-16/h2-3,16H,4-15H2,1H3
InChIKeyUFUPSWJJSAXJIQ-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-(Ethoxymethyl)cyclohexene
CID 85982053
1-(2-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
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1-(1-butoxypropyl)-4-[(E)-3-fluoroprop-1-enyl]cyclohexane
CID 90464674
1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 139673873
(E)-7-ethoxy-5-ethyltetradec-6-ene
CID 12009433
[1-(Hexyloxy)but-3-EN-1-YL]cyclohexane
CID 15174029
[(1R,2S,3E,6Z,9Z)-1-methoxy-2,4,6-trimethylundeca-3,6,9-trienyl]cyclohexane
CID 46894185
1-Phytanyl-1-octadec-10-enyl-ether
CID 129690160
1-Phytanyl-1-octadec-9-enyl-ether
CID 129690224
7-Methoxymethyl-2-menthene
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(1r,4r)-7-Methoxymethyl-2-menthene
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CID 134898825
CID 134898825

Frequently Asked Questions

What is the IUPAC name of 3-hept-5-enoxypropylcyclohexane?
The IUPAC name of 3-hept-5-enoxypropylcyclohexane (CID 57074807) is 3-hept-5-enoxypropylcyclohexane.
What is the SMILES notation for 3-hept-5-enoxypropylcyclohexane?
The canonical SMILES for 3-hept-5-enoxypropylcyclohexane is CC=CCCCCOCCCC1CCCCC1.
What is the InChIKey of 3-hept-5-enoxypropylcyclohexane?
The InChIKey is UFUPSWJJSAXJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-4-5-9-14-17-15-10-13-16-11-7-6-8-12-16/h2-3,16H,4-15H2,1H3.
What are the key properties of 3-hept-5-enoxypropylcyclohexane?
3-hept-5-enoxypropylcyclohexane has a molecular weight of 238.41 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-5-enoxypropylcyclohexane is sourced from PubChem (CID 57074807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).