1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene

C16H18 — CID 18927523

IUPAC1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene
SMILESC#CCCC(C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C16H18/c1-3-4-13-16(2,14-9-5-6-10-14)15-11-7-8-12-15/h1,5-9,11H,4,10,12-13H2,2H3
InChIKeyXCZXPXXZLVOUPC-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.18
Rot. Bonds4

About 1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene

1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene (PubChem CID 18927523) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene
PubChem CID18927523
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene
SMILESC#CCCC(C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C16H18/c1-3-4-13-16(2,14-9-5-6-10-14)15-11-7-8-12-15/h1,5-9,11H,4,10,12-13H2,2H3
InChIKeyXCZXPXXZLVOUPC-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.18
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

1,3-Cyclopentadiene, (1-methylethylidene)bis-
CID 11030304
(E)-1,2,3,4,5-Pentaethyl-5-propenyl-cyclopenta-1,3-diene
CID 10083293
Cyclopentadiene, (1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
CID 12133686
2-[(E)-3,7-dimethylnon-1-en-4,8-diynyl]-1,3,3-trimethylcyclohexene
CID 166449506
1,3,3-trimethyl-2-[(1E,3E,5E)-3-methylocta-1,3,5-trien-7-ynyl]cyclohexene
CID 11356891
1,2,3,4-Tetraethylspiro[4.5]deca-1,3,7,9-tetraene
CID 16215085
1,2,3,4-Tetraethylspiro[4.5]deca-1,3,6,9-tetraene
CID 16215599
2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene
CID 135048607
allopresodorifene A
CID 168720483
2-[2,3-Dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene
CID 14939026
1,3-Bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene
CID 101061054
1,3-Cyclopentadiene, 1,2,3,4,5-pentaethyl-5-(2-propenyl)-
CID 10467128

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene (CID 18927523) is 1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene is C#CCCC(C)(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene?
The InChIKey is XCZXPXXZLVOUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-3-4-13-16(2,14-9-5-6-10-14)15-11-7-8-12-15/h1,5-9,11H,4,10,12-13H2,2H3.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene?
1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene has a molecular weight of 210.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 18927523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).