1,3-bis(hex-5-enoxy)cyclohexane

C18H32O2 — CID 142724749

IUPAC1,3-bis(hex-5-enoxy)cyclohexane
SMILESC=CCCCCOC1CCCC(OCCCCC=C)C1
InChIInChI=1S/C18H32O2/c1-3-5-7-9-14-19-17-12-11-13-18(16-17)20-15-10-8-6-4-2/h3-4,17-18H,1-2,5-16H2
InChIKeyZOWVWPXORANGQE-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.04
Rot. Bonds12

About 1,3-bis(hex-5-enoxy)cyclohexane

1,3-bis(hex-5-enoxy)cyclohexane (PubChem CID 142724749) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1,3-bis(hex-5-enoxy)cyclohexane.

Molecular Properties

Compound Name1,3-bis(hex-5-enoxy)cyclohexane
PubChem CID142724749
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name1,3-bis(hex-5-enoxy)cyclohexane
SMILESC=CCCCCOC1CCCC(OCCCCC=C)C1
InChIInChI=1S/C18H32O2/c1-3-5-7-9-14-19-17-12-11-13-18(16-17)20-15-10-8-6-4-2/h3-4,17-18H,1-2,5-16H2
InChIKeyZOWVWPXORANGQE-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Tris(undec-10-enyloxy)cyclohexane
CID 129723795
3-Pent-4-enoxycyclohexan-1-ol
CID 14818314
1,3-Bis(pent-4-enoxy)cyclohexane
CID 142724740
1,3-Bis(undec-10-enoxy)cyclohexane
CID 142724741
1,3-Bis(hept-5-enoxy)cyclohexane
CID 142724748
1,3-Bis(hept-6-enoxy)cyclohexane
CID 142724761
1,3-Bis(dec-9-enoxy)cyclohexane
CID 142724778
1,3-Bis(4-methylpent-1-enoxy)cyclohexane
CID 142724787
1,3-Bis(oct-7-enoxy)cyclohexane
CID 142724789
1,3-Bis(hept-4-enoxy)cyclohexane
CID 142724792

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hex-5-enoxy)cyclohexane?
The IUPAC name of 1,3-bis(hex-5-enoxy)cyclohexane (CID 142724749) is 1,3-bis(hex-5-enoxy)cyclohexane.
What is the SMILES notation for 1,3-bis(hex-5-enoxy)cyclohexane?
The canonical SMILES for 1,3-bis(hex-5-enoxy)cyclohexane is C=CCCCCOC1CCCC(OCCCCC=C)C1.
What is the InChIKey of 1,3-bis(hex-5-enoxy)cyclohexane?
The InChIKey is ZOWVWPXORANGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-3-5-7-9-14-19-17-12-11-13-18(16-17)20-15-10-8-6-4-2/h3-4,17-18H,1-2,5-16H2.
What are the key properties of 1,3-bis(hex-5-enoxy)cyclohexane?
1,3-bis(hex-5-enoxy)cyclohexane has a molecular weight of 280.45 g/mol, XLogP of 5.04, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hex-5-enoxy)cyclohexane is sourced from PubChem (CID 142724749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).