1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene

C14H24 — CID 23286664

IUPAC1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene
SMILESCCCC(CC(C)(C)C)C1=CC=CC1
InChIInChI=1S/C14H24/c1-5-8-13(11-14(2,3)4)12-9-6-7-10-12/h6-7,9,13H,5,8,10-11H2,1-4H3
InChIKeyVKSUCXQTQPGYTM-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds4

About 1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene

1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene (PubChem CID 23286664) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene
PubChem CID23286664
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene
SMILESCCCC(CC(C)(C)C)C1=CC=CC1
InChIInChI=1S/C14H24/c1-5-8-13(11-14(2,3)4)12-9-6-7-10-12/h6-7,9,13H,5,8,10-11H2,1-4H3
InChIKeyVKSUCXQTQPGYTM-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene?
The IUPAC name of 1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene (CID 23286664) is 1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene is CCCC(CC(C)(C)C)C1=CC=CC1.
What is the InChIKey of 1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene?
The InChIKey is VKSUCXQTQPGYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-5-8-13(11-14(2,3)4)12-9-6-7-10-12/h6-7,9,13H,5,8,10-11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene?
1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene has a molecular weight of 192.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylheptan-4-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 23286664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).