3-oct-1-enoxypropylcyclohexane

C17H32O — CID 57190977

IUPAC3-oct-1-enoxypropylcyclohexane
SMILESCCCCCCC=COCCCC1CCCCC1
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-10-15-18-16-11-14-17-12-8-7-9-13-17/h10,15,17H,2-9,11-14,16H2,1H3
InChIKeyBBWXMCCGHGCZFH-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.85
Rot. Bonds10

About 3-oct-1-enoxypropylcyclohexane

3-oct-1-enoxypropylcyclohexane (PubChem CID 57190977) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 3-oct-1-enoxypropylcyclohexane.

Molecular Properties

Compound Name3-oct-1-enoxypropylcyclohexane
PubChem CID57190977
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name3-oct-1-enoxypropylcyclohexane
SMILESCCCCCCC=COCCCC1CCCCC1
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-10-15-18-16-11-14-17-12-8-7-9-13-17/h10,15,17H,2-9,11-14,16H2,1H3
InChIKeyBBWXMCCGHGCZFH-UHFFFAOYSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.85
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
3-Cyclohexyldihydropyran
CID 20290313
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane
CID 11005407
tributyl-[(E)-1-(cyclohexylmethoxy)-3-methylpent-1-enyl]stannane
CID 14970160
tributyl-[(E)-1-(cyclohexylmethoxy)hex-1-en-2-yl]stannane
CID 14970173
[1-(Hexyloxy)but-3-EN-1-YL]cyclohexane
CID 15174029
2-Heptyl-2-methyl-3,4-dihydropyran
CID 85821024

Frequently Asked Questions

What is the IUPAC name of 3-oct-1-enoxypropylcyclohexane?
The IUPAC name of 3-oct-1-enoxypropylcyclohexane (CID 57190977) is 3-oct-1-enoxypropylcyclohexane.
What is the SMILES notation for 3-oct-1-enoxypropylcyclohexane?
The canonical SMILES for 3-oct-1-enoxypropylcyclohexane is CCCCCCC=COCCCC1CCCCC1.
What is the InChIKey of 3-oct-1-enoxypropylcyclohexane?
The InChIKey is BBWXMCCGHGCZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-2-3-4-5-6-10-15-18-16-11-14-17-12-8-7-9-13-17/h10,15,17H,2-9,11-14,16H2,1H3.
What are the key properties of 3-oct-1-enoxypropylcyclohexane?
3-oct-1-enoxypropylcyclohexane has a molecular weight of 252.44 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-1-enoxypropylcyclohexane is sourced from PubChem (CID 57190977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).