(3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane

C12H22 — CID 147603807

IUPAC(3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane
SMILESCCC(C)/C(C)=C1/CCC(C)C1
InChIInChI=1S/C12H22/c1-5-10(3)11(4)12-7-6-9(2)8-12/h9-10H,5-8H2,1-4H3/b12-11-
InChIKeyGAQUPKLARKSKCV-QXMHVHEDSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds2

About (3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane

(3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane (PubChem CID 147603807) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane.

Molecular Properties

Compound Name(3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane
PubChem CID147603807
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane
SMILESCCC(C)/C(C)=C1/CCC(C)C1
InChIInChI=1S/C12H22/c1-5-10(3)11(4)12-7-6-9(2)8-12/h9-10H,5-8H2,1-4H3/b12-11-
InChIKeyGAQUPKLARKSKCV-QXMHVHEDSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane?
The IUPAC name of (3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane (CID 147603807) is (3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane.
What is the SMILES notation for (3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane?
The canonical SMILES for (3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane is CCC(C)/C(C)=C1/CCC(C)C1.
What is the InChIKey of (3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane?
The InChIKey is GAQUPKLARKSKCV-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H22/c1-5-10(3)11(4)12-7-6-9(2)8-12/h9-10H,5-8H2,1-4H3/b12-11-.
What are the key properties of (3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane?
(3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane is sourced from PubChem (CID 147603807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).