3-hept-1-enoxypropylcyclohexane

C16H30O — CID 57142799

IUPAC3-hept-1-enoxypropylcyclohexane
SMILESCCCCCC=COCCCC1CCCCC1
InChIInChI=1S/C16H30O/c1-2-3-4-5-9-14-17-15-10-13-16-11-7-6-8-12-16/h9,14,16H,2-8,10-13,15H2,1H3
InChIKeyDWBFTYMROCILPX-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.46
Rot. Bonds9

About 3-hept-1-enoxypropylcyclohexane

3-hept-1-enoxypropylcyclohexane (PubChem CID 57142799) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 3-hept-1-enoxypropylcyclohexane.

Molecular Properties

Compound Name3-hept-1-enoxypropylcyclohexane
PubChem CID57142799
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name3-hept-1-enoxypropylcyclohexane
SMILESCCCCCC=COCCCC1CCCCC1
InChIInChI=1S/C16H30O/c1-2-3-4-5-9-14-17-15-10-13-16-11-7-6-8-12-16/h9,14,16H,2-8,10-13,15H2,1H3
InChIKeyDWBFTYMROCILPX-UHFFFAOYSA-N
XLogP5.46
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 ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Oxaspiro(5.5)undecene, 4-methyl-
CID 109244
(E)-1-[(2S)-2-fluoro-7-methyloctoxy]undec-1-ene
CID 134864029
[(Z)-1-deuterio-3,3-dimethylbut-1-enoxy]methylcyclohexane
CID 11127223
tributyl-[(E)-1-(cyclohexylmethoxy)hex-1-enyl]stannane
CID 14970159
[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
CID 14970181
[(E)-2-methoxyethenyl]cyclohexane
CID 12552145
[(Z)-2-methoxyethenyl]cyclohexane
CID 12552146
3-Cyclohexyldihydropyran
CID 20290313
1-Oxaspiro[5.5]undec-2-ene
CID 21673928
Cyclohexyl divinyl ether
CID 57018671
2-Methoxyethenylcyclohexane
CID 57065092
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090

Frequently Asked Questions

What is the IUPAC name of 3-hept-1-enoxypropylcyclohexane?
The IUPAC name of 3-hept-1-enoxypropylcyclohexane (CID 57142799) is 3-hept-1-enoxypropylcyclohexane.
What is the SMILES notation for 3-hept-1-enoxypropylcyclohexane?
The canonical SMILES for 3-hept-1-enoxypropylcyclohexane is CCCCCC=COCCCC1CCCCC1.
What is the InChIKey of 3-hept-1-enoxypropylcyclohexane?
The InChIKey is DWBFTYMROCILPX-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/h9,14,16H,2-8,10-13,15H2,1H3.
What are the key properties of 3-hept-1-enoxypropylcyclohexane?
3-hept-1-enoxypropylcyclohexane has a molecular weight of 238.41 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-1-enoxypropylcyclohexane is sourced from PubChem (CID 57142799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).