4-propylcyclohexa-1,2-diene

C9H14 — CID 163960047

IUPAC4-propylcyclohexa-1,2-diene
SMILESCCCC1C=C=CCC1
InChIInChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h3,8-9H,2,4,6-7H2,1H3
InChIKeySGRCBNVLKQNJCF-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.91
Rot. Bonds2

About 4-propylcyclohexa-1,2-diene

4-propylcyclohexa-1,2-diene (PubChem CID 163960047) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 4-propylcyclohexa-1,2-diene.

Molecular Properties

Compound Name4-propylcyclohexa-1,2-diene
PubChem CID163960047
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name4-propylcyclohexa-1,2-diene
SMILESCCCC1C=C=CCC1
InChIInChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h3,8-9H,2,4,6-7H2,1H3
InChIKeySGRCBNVLKQNJCF-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-propylcyclohexa-1,3-dien-1-ol
CID 142071341
3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene
CID 123149803
(1S,4S)-4-propylcyclohex-2-ene-1-carboxylic acid
CID 71352376
1-(4-propylcyclohex-2-en-1-yl)ethanone
CID 89128614
1-methyl-3-propylcyclobutene
CID 14434507
(1Z,3Z)-5-propylcyclodeca-1,3-diene
CID 142896821
5-propylcyclohexa-1,3-diene
CID 13212987
(3S)-3-nonylcyclopentene
CID 90814175
1-bromo-2-propylaziridine
CID 544623
6-propylcyclohepta-1,4-diene
CID 142104440
2-propyl-2,3,4,5-tetrahydropyridine
CID 58247728
4-propylcyclohexene
CID 518777

Frequently Asked Questions

What is the IUPAC name of 4-propylcyclohexa-1,2-diene?
The IUPAC name of 4-propylcyclohexa-1,2-diene (CID 163960047) is 4-propylcyclohexa-1,2-diene.
What is the SMILES notation for 4-propylcyclohexa-1,2-diene?
The canonical SMILES for 4-propylcyclohexa-1,2-diene is CCCC1C=C=CCC1.
What is the InChIKey of 4-propylcyclohexa-1,2-diene?
The InChIKey is SGRCBNVLKQNJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h3,8-9H,2,4,6-7H2,1H3.
What are the key properties of 4-propylcyclohexa-1,2-diene?
4-propylcyclohexa-1,2-diene has a molecular weight of 122.21 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylcyclohexa-1,2-diene is sourced from PubChem (CID 163960047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).