3-methyl-6-methylideneoctane

C10H20 — CID 550803

IUPAC3-methyl-6-methylideneoctane
SMILESC=C(CC)CCC(C)CC
InChIInChI=1S/C10H20/c1-5-9(3)7-8-10(4)6-2/h10H,3,5-8H2,1-2,4H3
InChIKeyHXTBXHKSQNOPQS-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds5

About 3-methyl-6-methylideneoctane

3-methyl-6-methylideneoctane (PubChem CID 550803) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 3-methyl-6-methylideneoctane.

Molecular Properties

Compound Name3-methyl-6-methylideneoctane
PubChem CID550803
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name3-methyl-6-methylideneoctane
SMILESC=C(CC)CCC(C)CC
InChIInChI=1S/C10H20/c1-5-9(3)7-8-10(4)6-2/h10H,3,5-8H2,1-2,4H3
InChIKeyHXTBXHKSQNOPQS-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.78
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

Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
2,4-Dimethyl-1-heptene
CID 123385
Neophytadiene
CID 10446
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
CID 10354
Cyclohexane, 1-methylene-4-(1-methylethenyl)-
CID 68140
10-Methyl-1-undecene
CID 519941
2,5-Dimethyl-1-hexene
CID 33451
1-Heptene, 2,6-dimethyl-
CID 76492
2,4-Dimethyl-1-hexene
CID 519301
8-Methyldec-1-ene
CID 521957
2,6-Dimethyl 1,7-octadiene
CID 522313
2-Methyl-3-methylenehexane
CID 528377

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylideneoctane?
The IUPAC name of 3-methyl-6-methylideneoctane (CID 550803) is 3-methyl-6-methylideneoctane.
What is the SMILES notation for 3-methyl-6-methylideneoctane?
The canonical SMILES for 3-methyl-6-methylideneoctane is C=C(CC)CCC(C)CC.
What is the InChIKey of 3-methyl-6-methylideneoctane?
The InChIKey is HXTBXHKSQNOPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-5-9(3)7-8-10(4)6-2/h10H,3,5-8H2,1-2,4H3.
What are the key properties of 3-methyl-6-methylideneoctane?
3-methyl-6-methylideneoctane has a molecular weight of 140.27 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylideneoctane is sourced from PubChem (CID 550803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).