6-pentyl-2-propylcyclohexa-1,3-diene

C14H24 — CID 144896807

IUPAC6-pentyl-2-propylcyclohexa-1,3-diene
SMILESCCCCCC1C=C(CCC)C=CC1
InChIInChI=1S/C14H24/c1-3-5-6-9-14-11-7-10-13(12-14)8-4-2/h7,10,12,14H,3-6,8-9,11H2,1-2H3
InChIKeyBIWXTJQEJYXBDE-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.87
Rot. Bonds6

About 6-pentyl-2-propylcyclohexa-1,3-diene

6-pentyl-2-propylcyclohexa-1,3-diene (PubChem CID 144896807) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 6-pentyl-2-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-pentyl-2-propylcyclohexa-1,3-diene
PubChem CID144896807
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name6-pentyl-2-propylcyclohexa-1,3-diene
SMILESCCCCCC1C=C(CCC)C=CC1
InChIInChI=1S/C14H24/c1-3-5-6-9-14-11-7-10-13(12-14)8-4-2/h7,10,12,14H,3-6,8-9,11H2,1-2H3
InChIKeyBIWXTJQEJYXBDE-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-decylcyclobutene
CID 174421846
4-heptylcyclohexa-1,5-diene-1-carbonitrile
CID 90815913
(2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one
CID 91936907
5-decylcyclohex-2-en-1-one
CID 139985452
4-hexylcyclopentene
CID 10487053
2-heptadecylcyclopenta-1,3-diene
CID 91156945
2-nonyl-2,3-dihydropyran-6-one
CID 15825660
5-hexyl-2-(4-octylcyclohexyl)cyclohexa-1,3-diene
CID 139627527
N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 163983354
2,6-bis(methoxymethyl)cyclohexa-1,3-diene
CID 126516910
5-fluoro-2-propylcyclohexa-1,3-diene
CID 123958861
(3S)-3-nonylcyclopentene
CID 90814175

Frequently Asked Questions

What is the IUPAC name of 6-pentyl-2-propylcyclohexa-1,3-diene?
The IUPAC name of 6-pentyl-2-propylcyclohexa-1,3-diene (CID 144896807) is 6-pentyl-2-propylcyclohexa-1,3-diene.
What is the SMILES notation for 6-pentyl-2-propylcyclohexa-1,3-diene?
The canonical SMILES for 6-pentyl-2-propylcyclohexa-1,3-diene is CCCCCC1C=C(CCC)C=CC1.
What is the InChIKey of 6-pentyl-2-propylcyclohexa-1,3-diene?
The InChIKey is BIWXTJQEJYXBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-5-6-9-14-11-7-10-13(12-14)8-4-2/h7,10,12,14H,3-6,8-9,11H2,1-2H3.
What are the key properties of 6-pentyl-2-propylcyclohexa-1,3-diene?
6-pentyl-2-propylcyclohexa-1,3-diene has a molecular weight of 192.35 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-2-propylcyclohexa-1,3-diene is sourced from PubChem (CID 144896807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).