6-propylcyclohepta-1,4-diene

C10H16 — CID 142104440

IUPAC6-propylcyclohepta-1,4-diene
SMILESCCCC1C=CCC=CC1
InChIInChI=1S/C10H16/c1-2-7-10-8-5-3-4-6-9-10/h3,5-6,9-10H,2,4,7-8H2,1H3
InChIKeyAYPQIBSHNMRUKL-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.31
Rot. Bonds2

About 6-propylcyclohepta-1,4-diene

6-propylcyclohepta-1,4-diene (PubChem CID 142104440) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 6-propylcyclohepta-1,4-diene.

Molecular Properties

Compound Name6-propylcyclohepta-1,4-diene
PubChem CID142104440
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name6-propylcyclohepta-1,4-diene
SMILESCCCC1C=CCC=CC1
InChIInChI=1S/C10H16/c1-2-7-10-8-5-3-4-6-9-10/h3,5-6,9-10H,2,4,7-8H2,1H3
InChIKeyAYPQIBSHNMRUKL-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-propylcyclohexa-1,3-diene
CID 13212987
ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine
CID 145304897
3-decylcyclobutene
CID 174421846
3,4,5-tripropylcyclohexene
CID 21482570
(5Z)-3-ethylcyclodeca-1,5-diene
CID 173433007
cyclohexa-1,4-diene;ethane;propane
CID 158923317
(1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene
CID 5352577
(5E,8E,11E)-14-propyl-1-oxacyclotetradeca-5,8,11-trien-2-one
CID 165161786
ethyl (1R)-cyclohepta-2,5-diene-1-carboxylate
CID 11788493
4-propylcyclohexene
CID 518777
4-methyl-3-propylcyclopentene
CID 91050594
5-propylcyclohexa-1,3-dien-1-ol
CID 142071341

Frequently Asked Questions

What is the IUPAC name of 6-propylcyclohepta-1,4-diene?
The IUPAC name of 6-propylcyclohepta-1,4-diene (CID 142104440) is 6-propylcyclohepta-1,4-diene.
What is the SMILES notation for 6-propylcyclohepta-1,4-diene?
The canonical SMILES for 6-propylcyclohepta-1,4-diene is CCCC1C=CCC=CC1.
What is the InChIKey of 6-propylcyclohepta-1,4-diene?
The InChIKey is AYPQIBSHNMRUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-7-10-8-5-3-4-6-9-10/h3,5-6,9-10H,2,4,7-8H2,1H3.
What are the key properties of 6-propylcyclohepta-1,4-diene?
6-propylcyclohepta-1,4-diene has a molecular weight of 136.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylcyclohepta-1,4-diene is sourced from PubChem (CID 142104440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).