ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene

C14H24 — CID 144652064

IUPACethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene
SMILESC=CC(C)/C=C\C1=C(C)CCC1.CC
InChIInChI=1S/C12H18.C2H6/c1-4-10(2)8-9-12-7-5-6-11(12)3;1-2/h4,8-10H,1,5-7H2,2-3H3;1-2H3/b9-8-;
InChIKeyXQWVWEUZKPJMLS-UOQXYWCXSA-N
MW192.35 g/mol
LogP4.89
Rot. Bonds3

About ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene

ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene (PubChem CID 144652064) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene.

Molecular Properties

Compound Nameethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene
PubChem CID144652064
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Nameethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene
SMILESC=CC(C)/C=C\C1=C(C)CCC1.CC
InChIInChI=1S/C12H18.C2H6/c1-4-10(2)8-9-12-7-5-6-11(12)3;1-2/h4,8-10H,1,5-7H2,2-3H3;1-2H3/b9-8-;
InChIKeyXQWVWEUZKPJMLS-UOQXYWCXSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.89
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 ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene?
The IUPAC name of ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene (CID 144652064) is ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene.
What is the SMILES notation for ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene?
The canonical SMILES for ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene is C=CC(C)/C=C\C1=C(C)CCC1.CC.
What is the InChIKey of ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene?
The InChIKey is XQWVWEUZKPJMLS-UOQXYWCXSA-N. The full InChI is InChI=1S/C12H18.C2H6/c1-4-10(2)8-9-12-7-5-6-11(12)3;1-2/h4,8-10H,1,5-7H2,2-3H3;1-2H3/b9-8-;.
What are the key properties of ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene?
ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene has a molecular weight of 192.35 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene is sourced from PubChem (CID 144652064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).