4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane

C17H28O — CID 134882455

IUPAC4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane
SMILESC=CCCOC(CC=C)(CC=C)C1CCCCC1
InChIInChI=1S/C17H28O/c1-4-7-15-18-17(13-5-2,14-6-3)16-11-9-8-10-12-16/h4-6,16H,1-3,7-15H2
InChIKeyOUYJDEPVCZVEHR-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.05
Rot. Bonds9

About 4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane

4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane (PubChem CID 134882455) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane.

Molecular Properties

Compound Name4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane
PubChem CID134882455
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane
SMILESC=CCCOC(CC=C)(CC=C)C1CCCCC1
InChIInChI=1S/C17H28O/c1-4-7-15-18-17(13-5-2,14-6-3)16-11-9-8-10-12-16/h4-6,16H,1-3,7-15H2
InChIKeyOUYJDEPVCZVEHR-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.05
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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Related Compounds

1,1-dicyclohexylbut-3-en-1-ol
CID 20571540
but-3-enylcyclododecane
CID 54074675
but-3-enoxycyclobutane
CID 130057115
N-(2-but-3-enoxyethyl)cyclododecanamine
CID 106397131
cyclohexyl 3-cyclohexyl-3-prop-2-enylhex-5-enoate
CID 91474525
oct-7-enoxymethylcyclohexane
CID 53248071
but-3-enylcyclohexane;carbonic acid
CID 70349609
5-but-3-enoxy-5-fluoronona-1,8-diene
CID 122631410
4-(1,1-difluoropropoxy)but-1-ene
CID 88900247
hex-5-enylcyclopentane
CID 20565123
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
CID 106401449
(2S)-2-pent-4-enoxyoxane
CID 58779863

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane?
The IUPAC name of 4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane (CID 134882455) is 4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane.
What is the SMILES notation for 4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane?
The canonical SMILES for 4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane is C=CCCOC(CC=C)(CC=C)C1CCCCC1.
What is the InChIKey of 4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane?
The InChIKey is OUYJDEPVCZVEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-4-7-15-18-17(13-5-2,14-6-3)16-11-9-8-10-12-16/h4-6,16H,1-3,7-15H2.
What are the key properties of 4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane?
4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane has a molecular weight of 248.41 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxyhepta-1,6-dien-4-ylcyclohexane is sourced from PubChem (CID 134882455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).