1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene

C14H16 — CID 134976433

IUPAC1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene
SMILESCC#CC1=C(C=C=C=C(C)C)CCC1
InChIInChI=1S/C14H16/c1-4-7-13-10-6-11-14(13)9-5-8-12(2)3/h9H,6,10-11H2,1-3H3
InChIKeyWYFCBLBSKGMSES-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.77
Rot. Bonds1

About 1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene

1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene (PubChem CID 134976433) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene.

Molecular Properties

Compound Name1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene
PubChem CID134976433
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene
SMILESCC#CC1=C(C=C=C=C(C)C)CCC1
InChIInChI=1S/C14H16/c1-4-7-13-10-6-11-14(13)9-5-8-12(2)3/h9H,6,10-11H2,1-3H3
InChIKeyWYFCBLBSKGMSES-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-Diethyl-2-methylcyclopenta-1,3-diene
CID 139667464
1-Hex-1-ynyl-cyclohexene
CID 11147892
(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene
CID 10263693
5-Heptan-4-ylidenecyclopenta-1,3-diene
CID 15824856
(E)-3-fluoro-6-prop-1-en-2-ylnon-6-en-1-yne
CID 138628540
1,3-Cyclopentadiene, 2-pentyl
CID 528181
5-Hept-6-yn-2-ylidenecyclopenta-1,3-diene
CID 13624562
(3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne
CID 10900945
1-Oct-1-ynylcyclopentene
CID 10910108
1-Hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene
CID 10998721
1-(4-Methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene
CID 11064998
(7Z)-7-butylheptadeca-7,9,10-trien-5-yne
CID 11077013

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene?
The IUPAC name of 1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene (CID 134976433) is 1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene.
What is the SMILES notation for 1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene?
The canonical SMILES for 1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene is CC#CC1=C(C=C=C=C(C)C)CCC1.
What is the InChIKey of 1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene?
The InChIKey is WYFCBLBSKGMSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-4-7-13-10-6-11-14(13)9-5-8-12(2)3/h9H,6,10-11H2,1-3H3.
What are the key properties of 1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene?
1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene has a molecular weight of 184.28 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene is sourced from PubChem (CID 134976433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).