1-pent-4-enyl-4-prop-2-enoxycyclohexane

C14H24O — CID 70397512

IUPAC1-pent-4-enyl-4-prop-2-enoxycyclohexane
SMILESC=CCCCC1CCC(OCC=C)CC1
InChIInChI=1S/C14H24O/c1-3-5-6-7-13-8-10-14(11-9-13)15-12-4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyNFOOGPSKUZOETG-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.10
Rot. Bonds7

About 1-pent-4-enyl-4-prop-2-enoxycyclohexane

1-pent-4-enyl-4-prop-2-enoxycyclohexane (PubChem CID 70397512) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-pent-4-enyl-4-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name1-pent-4-enyl-4-prop-2-enoxycyclohexane
PubChem CID70397512
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-pent-4-enyl-4-prop-2-enoxycyclohexane
SMILESC=CCCCC1CCC(OCC=C)CC1
InChIInChI=1S/C14H24O/c1-3-5-6-7-13-8-10-14(11-9-13)15-12-4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyNFOOGPSKUZOETG-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-4-prop-2-enoxycyclohexane?
The IUPAC name of 1-pent-4-enyl-4-prop-2-enoxycyclohexane (CID 70397512) is 1-pent-4-enyl-4-prop-2-enoxycyclohexane.
What is the SMILES notation for 1-pent-4-enyl-4-prop-2-enoxycyclohexane?
The canonical SMILES for 1-pent-4-enyl-4-prop-2-enoxycyclohexane is C=CCCCC1CCC(OCC=C)CC1.
What is the InChIKey of 1-pent-4-enyl-4-prop-2-enoxycyclohexane?
The InChIKey is NFOOGPSKUZOETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-6-7-13-8-10-14(11-9-13)15-12-4-2/h3-4,13-14H,1-2,5-12H2.
What are the key properties of 1-pent-4-enyl-4-prop-2-enoxycyclohexane?
1-pent-4-enyl-4-prop-2-enoxycyclohexane has a molecular weight of 208.34 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-4-prop-2-enoxycyclohexane is sourced from PubChem (CID 70397512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).