1,4-di(butylidene)cyclohexane

C14H24 — CID 175542706

IUPAC1,4-di(butylidene)cyclohexane
SMILESCCCC=C1CCC(=CCCC)CC1
InChIInChI=1S/C14H24/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h7-8H,3-6,9-12H2,1-2H3/b13-7-,14-8+
InChIKeyCZQBNVSVSYSXDG-MFUUIURDSA-N
MW192.35 g/mol
LogP5.01
Rot. Bonds4

About 1,4-di(butylidene)cyclohexane

1,4-di(butylidene)cyclohexane (PubChem CID 175542706) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1,4-di(butylidene)cyclohexane.

Molecular Properties

Compound Name1,4-di(butylidene)cyclohexane
PubChem CID175542706
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1,4-di(butylidene)cyclohexane
SMILESCCCC=C1CCC(=CCCC)CC1
InChIInChI=1S/C14H24/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h7-8H,3-6,9-12H2,1-2H3/b13-7-,14-8+
InChIKeyCZQBNVSVSYSXDG-MFUUIURDSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-butylidenepiperidine
CID 14966659
heptadecylidenecyclopropane
CID 19760704
pent-1-ene;pentylidenecyclopropane
CID 173050436
hexylidenecyclobutane
CID 86127710
pentylidenecyclopentadecane
CID 151655236
(1Z,2E)-1,2-di(butylidene)cyclopentane
CID 177483288
(4-butylidene-1-phenylcyclohexyl)benzene
CID 22420630
dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573
(1E)-1-butylidene-3-methylcyclohexane
CID 10606948
4-hexylidenepiperidine;hydrochloride
CID 18963728
(5-ethyl-4-methylheptylidene)cyclopropane
CID 123365947

Frequently Asked Questions

What is the IUPAC name of 1,4-di(butylidene)cyclohexane?
The IUPAC name of 1,4-di(butylidene)cyclohexane (CID 175542706) is 1,4-di(butylidene)cyclohexane.
What is the SMILES notation for 1,4-di(butylidene)cyclohexane?
The canonical SMILES for 1,4-di(butylidene)cyclohexane is CCCC=C1CCC(=CCCC)CC1.
What is the InChIKey of 1,4-di(butylidene)cyclohexane?
The InChIKey is CZQBNVSVSYSXDG-MFUUIURDSA-N. The full InChI is InChI=1S/C14H24/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h7-8H,3-6,9-12H2,1-2H3/b13-7-,14-8+.
What are the key properties of 1,4-di(butylidene)cyclohexane?
1,4-di(butylidene)cyclohexane has a molecular weight of 192.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(butylidene)cyclohexane is sourced from PubChem (CID 175542706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).