6-(2-methylpropyl)cyclonona-1,3-diene

C13H22 — CID 91468829

IUPAC6-(2-methylpropyl)cyclonona-1,3-diene
SMILESCC(C)CC1CC=CC=CCCC1
InChIInChI=1S/C13H22/c1-12(2)11-13-9-7-5-3-4-6-8-10-13/h3-5,7,12-13H,6,8-11H2,1-2H3
InChIKeyIIQRPCMFWLYRQE-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.34
Rot. Bonds2

About 6-(2-methylpropyl)cyclonona-1,3-diene

6-(2-methylpropyl)cyclonona-1,3-diene (PubChem CID 91468829) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 6-(2-methylpropyl)cyclonona-1,3-diene.

Molecular Properties

Compound Name6-(2-methylpropyl)cyclonona-1,3-diene
PubChem CID91468829
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name6-(2-methylpropyl)cyclonona-1,3-diene
SMILESCC(C)CC1CC=CC=CCCC1
InChIInChI=1S/C13H22/c1-12(2)11-13-9-7-5-3-4-6-8-10-13/h3-5,7,12-13H,6,8-11H2,1-2H3
InChIKeyIIQRPCMFWLYRQE-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428777
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
CID 157070530
2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene
CID 143224253
cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane
CID 10261806
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116
3-(2-methylpropyl)cycloheptene
CID 54543527

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)cyclonona-1,3-diene?
The IUPAC name of 6-(2-methylpropyl)cyclonona-1,3-diene (CID 91468829) is 6-(2-methylpropyl)cyclonona-1,3-diene.
What is the SMILES notation for 6-(2-methylpropyl)cyclonona-1,3-diene?
The canonical SMILES for 6-(2-methylpropyl)cyclonona-1,3-diene is CC(C)CC1CC=CC=CCCC1.
What is the InChIKey of 6-(2-methylpropyl)cyclonona-1,3-diene?
The InChIKey is IIQRPCMFWLYRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-12(2)11-13-9-7-5-3-4-6-8-10-13/h3-5,7,12-13H,6,8-11H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)cyclonona-1,3-diene?
6-(2-methylpropyl)cyclonona-1,3-diene has a molecular weight of 178.32 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)cyclonona-1,3-diene is sourced from PubChem (CID 91468829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).