1-prop-2-enoxyhept-2-ynylcyclohexane

C16H26O — CID 75288059

IUPAC1-prop-2-enoxyhept-2-ynylcyclohexane
SMILESC=CCOC(C#CCCCC)C1CCCCC1
InChIInChI=1S/C16H26O/c1-3-5-6-10-13-16(17-14-4-2)15-11-8-7-9-12-15/h4,15-16H,2-3,5-9,11-12,14H2,1H3
InChIKeyPBUAEXIREBZAJI-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.33
Rot. Bonds6

About 1-prop-2-enoxyhept-2-ynylcyclohexane

1-prop-2-enoxyhept-2-ynylcyclohexane (PubChem CID 75288059) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-prop-2-enoxyhept-2-ynylcyclohexane.

Molecular Properties

Compound Name1-prop-2-enoxyhept-2-ynylcyclohexane
PubChem CID75288059
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-prop-2-enoxyhept-2-ynylcyclohexane
SMILESC=CCOC(C#CCCCC)C1CCCCC1
InChIInChI=1S/C16H26O/c1-3-5-6-10-13-16(17-14-4-2)15-11-8-7-9-12-15/h4,15-16H,2-3,5-9,11-12,14H2,1H3
InChIKeyPBUAEXIREBZAJI-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.33
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxyhept-2-ynylcyclohexane?
The IUPAC name of 1-prop-2-enoxyhept-2-ynylcyclohexane (CID 75288059) is 1-prop-2-enoxyhept-2-ynylcyclohexane.
What is the SMILES notation for 1-prop-2-enoxyhept-2-ynylcyclohexane?
The canonical SMILES for 1-prop-2-enoxyhept-2-ynylcyclohexane is C=CCOC(C#CCCCC)C1CCCCC1.
What is the InChIKey of 1-prop-2-enoxyhept-2-ynylcyclohexane?
The InChIKey is PBUAEXIREBZAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-3-5-6-10-13-16(17-14-4-2)15-11-8-7-9-12-15/h4,15-16H,2-3,5-9,11-12,14H2,1H3.
What are the key properties of 1-prop-2-enoxyhept-2-ynylcyclohexane?
1-prop-2-enoxyhept-2-ynylcyclohexane has a molecular weight of 234.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyhept-2-ynylcyclohexane is sourced from PubChem (CID 75288059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).