1,2-di(pentylidene)cyclohexane

C16H28 — CID 11356709

IUPAC1,2-di(pentylidene)cyclohexane
SMILESCCCCC=C1CCCCC1=CCCCC
InChIInChI=1S/C16H28/c1-3-5-7-11-15-13-9-10-14-16(15)12-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3
InChIKeyZUCXEKPGVYWPLJ-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.79
Rot. Bonds6

About 1,2-di(pentylidene)cyclohexane

1,2-di(pentylidene)cyclohexane (PubChem CID 11356709) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1,2-di(pentylidene)cyclohexane.

Molecular Properties

Compound Name1,2-di(pentylidene)cyclohexane
PubChem CID11356709
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1,2-di(pentylidene)cyclohexane
SMILESCCCCC=C1CCCCC1=CCCCC
InChIInChI=1S/C16H28/c1-3-5-7-11-15-13-9-10-14-16(15)12-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3
InChIKeyZUCXEKPGVYWPLJ-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-di(pentylidene)cyclohexan-1-one
CID 70979876
(1Z,2E)-1,2-di(butylidene)cyclopentane
CID 177483288
pentylidenecyclopentadecane
CID 151655236
(2E)-2-octylidenecyclohexan-1-one
CID 6441359
(2Z)-2-octylidenecyclopentan-1-one
CID 87161532
(2Z)-2-heptylidenecyclopentan-1-one
CID 56924121
hexylidenecyclobutane
CID 86127710
3-hexylideneazepane-2,7-dione
CID 151725018
(3Z)-3-pentylidenepiperidine-2,6-dione
CID 123499320
(2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one
CID 102185079
dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573

Frequently Asked Questions

What is the IUPAC name of 1,2-di(pentylidene)cyclohexane?
The IUPAC name of 1,2-di(pentylidene)cyclohexane (CID 11356709) is 1,2-di(pentylidene)cyclohexane.
What is the SMILES notation for 1,2-di(pentylidene)cyclohexane?
The canonical SMILES for 1,2-di(pentylidene)cyclohexane is CCCCC=C1CCCCC1=CCCCC.
What is the InChIKey of 1,2-di(pentylidene)cyclohexane?
The InChIKey is ZUCXEKPGVYWPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-3-5-7-11-15-13-9-10-14-16(15)12-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3.
What are the key properties of 1,2-di(pentylidene)cyclohexane?
1,2-di(pentylidene)cyclohexane has a molecular weight of 220.40 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(pentylidene)cyclohexane is sourced from PubChem (CID 11356709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).