5-(3-methylheptyl)cyclohexa-1,3-diene

C14H24 — CID 23281661

IUPAC5-(3-methylheptyl)cyclohexa-1,3-diene
SMILESCCCCC(C)CCC1C=CC=CC1
InChIInChI=1S/C14H24/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h5-7,9,13-14H,3-4,8,10-12H2,1-2H3
InChIKeyLBPCEJHVYQRNEF-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds6

About 5-(3-methylheptyl)cyclohexa-1,3-diene

5-(3-methylheptyl)cyclohexa-1,3-diene (PubChem CID 23281661) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 5-(3-methylheptyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(3-methylheptyl)cyclohexa-1,3-diene
PubChem CID23281661
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name5-(3-methylheptyl)cyclohexa-1,3-diene
SMILESCCCCC(C)CCC1C=CC=CC1
InChIInChI=1S/C14H24/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h5-7,9,13-14H,3-4,8,10-12H2,1-2H3
InChIKeyLBPCEJHVYQRNEF-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-propylcyclohexa-1,3-diene
CID 13212987
5-(2-ethoxyheptoxymethyl)cyclohexa-1,3-diene
CID 145008773
5-octylcyclohexa-1,3-diene;propane;2H-triazole
CID 175505536
3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
CID 142554560
5-cyclohexa-2,4-dien-1-yl-N-(trifluoromethoxy)pentan-2-amine
CID 153231799
6-(3-methylheptyl)cyclohex-3-ene-1-sulfinate
CID 163527263
3-decylcyclobutene
CID 174421846
5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072
5-(3-methylhexan-2-yl)cyclohexa-1,3-diene
CID 91301373
5-(5-cyclopentylpentyl)cyclohexa-1,3-diene
CID 142426678
3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
CID 102386981
4-cyclohexa-2,4-dien-1-ylbutanamide
CID 138478327

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylheptyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(3-methylheptyl)cyclohexa-1,3-diene (CID 23281661) is 5-(3-methylheptyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(3-methylheptyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(3-methylheptyl)cyclohexa-1,3-diene is CCCCC(C)CCC1C=CC=CC1.
What is the InChIKey of 5-(3-methylheptyl)cyclohexa-1,3-diene?
The InChIKey is LBPCEJHVYQRNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h5-7,9,13-14H,3-4,8,10-12H2,1-2H3.
What are the key properties of 5-(3-methylheptyl)cyclohexa-1,3-diene?
5-(3-methylheptyl)cyclohexa-1,3-diene has a molecular weight of 192.35 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylheptyl)cyclohexa-1,3-diene is sourced from PubChem (CID 23281661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).