2-hept-1-enoxypropylcyclohexane

C16H30O — CID 57050875

IUPAC2-hept-1-enoxypropylcyclohexane
SMILESCCCCCC=COC(C)CC1CCCCC1
InChIInChI=1S/C16H30O/c1-3-4-5-6-10-13-17-15(2)14-16-11-8-7-9-12-16/h10,13,15-16H,3-9,11-12,14H2,1-2H3
InChIKeyZYBKHXJQHZWJSJ-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.46
Rot. Bonds8

About 2-hept-1-enoxypropylcyclohexane

2-hept-1-enoxypropylcyclohexane (PubChem CID 57050875) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 2-hept-1-enoxypropylcyclohexane.

Molecular Properties

Compound Name2-hept-1-enoxypropylcyclohexane
PubChem CID57050875
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name2-hept-1-enoxypropylcyclohexane
SMILESCCCCCC=COC(C)CC1CCCCC1
InChIInChI=1S/C16H30O/c1-3-4-5-6-10-13-17-15(2)14-16-11-8-7-9-12-16/h10,13,15-16H,3-9,11-12,14H2,1-2H3
InChIKeyZYBKHXJQHZWJSJ-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 2-hept-1-enoxypropylcyclohexane?
The IUPAC name of 2-hept-1-enoxypropylcyclohexane (CID 57050875) is 2-hept-1-enoxypropylcyclohexane.
What is the SMILES notation for 2-hept-1-enoxypropylcyclohexane?
The canonical SMILES for 2-hept-1-enoxypropylcyclohexane is CCCCCC=COC(C)CC1CCCCC1.
What is the InChIKey of 2-hept-1-enoxypropylcyclohexane?
The InChIKey is ZYBKHXJQHZWJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-3-4-5-6-10-13-17-15(2)14-16-11-8-7-9-12-16/h10,13,15-16H,3-9,11-12,14H2,1-2H3.
What are the key properties of 2-hept-1-enoxypropylcyclohexane?
2-hept-1-enoxypropylcyclohexane has a molecular weight of 238.41 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-1-enoxypropylcyclohexane is sourced from PubChem (CID 57050875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).