(1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane

C12H22 — CID 140611088

IUPAC(1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane
SMILESCC(C)/C=C1/CCCC1C(C)C
InChIInChI=1S/C12H22/c1-9(2)8-11-6-5-7-12(11)10(3)4/h8-10,12H,5-7H2,1-4H3/b11-8-
InChIKeyPSPVDTSVAUFNPZ-FLIBITNWSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds2

About (1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane

(1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane (PubChem CID 140611088) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Name(1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane
PubChem CID140611088
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane
SMILESCC(C)/C=C1/CCCC1C(C)C
InChIInChI=1S/C12H22/c1-9(2)8-11-6-5-7-12(11)10(3)4/h8-10,12H,5-7H2,1-4H3/b11-8-
InChIKeyPSPVDTSVAUFNPZ-FLIBITNWSA-N
XLogP4.02
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 ≤ 54.02
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 (1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane?
The IUPAC name of (1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane (CID 140611088) is (1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane.
What is the SMILES notation for (1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane?
The canonical SMILES for (1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane is CC(C)/C=C1/CCCC1C(C)C.
What is the InChIKey of (1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane?
The InChIKey is PSPVDTSVAUFNPZ-FLIBITNWSA-N. The full InChI is InChI=1S/C12H22/c1-9(2)8-11-6-5-7-12(11)10(3)4/h8-10,12H,5-7H2,1-4H3/b11-8-.
What are the key properties of (1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane?
(1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane is sourced from PubChem (CID 140611088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).