(1Z,2E)-1,2-di(butylidene)cyclopentane

C13H22 — CID 177483288

IUPAC(1Z,2E)-1,2-di(butylidene)cyclopentane
SMILESCCC/C=C1/CCC/C1=C\CCC
InChIInChI=1S/C13H22/c1-3-5-8-12-10-7-11-13(12)9-6-4-2/h8-9H,3-7,10-11H2,1-2H3/b12-8-,13-9+
InChIKeyCWURCUVJQJTVNJ-QRBCZBMESA-N
MW178.32 g/mol
LogP4.62
Rot. Bonds4

About (1Z,2E)-1,2-di(butylidene)cyclopentane

(1Z,2E)-1,2-di(butylidene)cyclopentane (PubChem CID 177483288) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (1Z,2E)-1,2-di(butylidene)cyclopentane.

Molecular Properties

Compound Name(1Z,2E)-1,2-di(butylidene)cyclopentane
PubChem CID177483288
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(1Z,2E)-1,2-di(butylidene)cyclopentane
SMILESCCC/C=C1/CCC/C1=C\CCC
InChIInChI=1S/C13H22/c1-3-5-8-12-10-7-11-13(12)9-6-4-2/h8-9H,3-7,10-11H2,1-2H3/b12-8-,13-9+
InChIKeyCWURCUVJQJTVNJ-QRBCZBMESA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-di(pentylidene)cyclohexane
CID 11356709
4-butylidene-2,3-dihydro-1H-naphthalene
CID 123805104
(NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine
CID 88733502
N-(2-butylidenecyclohexylidene)hydroxylamine
CID 88733504
2,6-di(pentylidene)cyclohexan-1-one
CID 70979876
4-butylidene-6,7-dihydro-5H-1-benzofuran
CID 54518756
1,4-di(butylidene)cyclohexane
CID 175542706
(2Z)-2-octylidenecyclopentan-1-one
CID 87161532
(2Z)-2-heptylidenecyclopentan-1-one
CID 56924121
(3E)-3-butylideneazetidin-2-one
CID 55298756
ethane;(1Z,2Z)-1-ethylidene-2-propylidenecyclopentane;fluoromethane
CID 142105046
(2E)-2-octylidenecyclohexan-1-one
CID 6441359

Frequently Asked Questions

What is the IUPAC name of (1Z,2E)-1,2-di(butylidene)cyclopentane?
The IUPAC name of (1Z,2E)-1,2-di(butylidene)cyclopentane (CID 177483288) is (1Z,2E)-1,2-di(butylidene)cyclopentane.
What is the SMILES notation for (1Z,2E)-1,2-di(butylidene)cyclopentane?
The canonical SMILES for (1Z,2E)-1,2-di(butylidene)cyclopentane is CCC/C=C1/CCC/C1=C\CCC.
What is the InChIKey of (1Z,2E)-1,2-di(butylidene)cyclopentane?
The InChIKey is CWURCUVJQJTVNJ-QRBCZBMESA-N. The full InChI is InChI=1S/C13H22/c1-3-5-8-12-10-7-11-13(12)9-6-4-2/h8-9H,3-7,10-11H2,1-2H3/b12-8-,13-9+.
What are the key properties of (1Z,2E)-1,2-di(butylidene)cyclopentane?
(1Z,2E)-1,2-di(butylidene)cyclopentane has a molecular weight of 178.32 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2E)-1,2-di(butylidene)cyclopentane is sourced from PubChem (CID 177483288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).