1-methyl-4-methylidenecyclooctane

C10H18 — CID 57182934

IUPAC1-methyl-4-methylidenecyclooctane
SMILESC=C1CCCCC(C)CC1
InChIInChI=1S/C10H18/c1-9-5-3-4-6-10(2)8-7-9/h10H,1,3-8H2,2H3
InChIKeyCSDUQFGTARJEFJ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds

About 1-methyl-4-methylidenecyclooctane

1-methyl-4-methylidenecyclooctane (PubChem CID 57182934) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-methyl-4-methylidenecyclooctane.

Molecular Properties

Compound Name1-methyl-4-methylidenecyclooctane
PubChem CID57182934
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-methyl-4-methylidenecyclooctane
SMILESC=C1CCCCC(C)CC1
InChIInChI=1S/C10H18/c1-9-5-3-4-6-10(2)8-7-9/h10H,1,3-8H2,2H3
InChIKeyCSDUQFGTARJEFJ-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
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

2,4-Dimethyl-1-heptene
CID 123385
1-Heptene, 2,6-dimethyl-
CID 76492
Vinylcyclooctane
CID 93331
(+-)-N,N-Dimethyl menthyl succinamide
CID 544714
1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
3-Ethyl-2-methyl-1-heptene
CID 140588
p-Menth-1(7)-ene
CID 517973
1,8-Nonadiene, 2,7-dimethyl-5-(1-methylethenyl)-
CID 572166
1-Methyl-3-(2-methylprop-2-en-1-yl)cyclopentane
CID 543757
2,6-Dimethyl-1-octene
CID 522308
2,4,6-Trimethyl-1-nonene
CID 536118
2,4,6,8-Tetramethyl-1-undecene
CID 536235

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidenecyclooctane?
The IUPAC name of 1-methyl-4-methylidenecyclooctane (CID 57182934) is 1-methyl-4-methylidenecyclooctane.
What is the SMILES notation for 1-methyl-4-methylidenecyclooctane?
The canonical SMILES for 1-methyl-4-methylidenecyclooctane is C=C1CCCCC(C)CC1.
What is the InChIKey of 1-methyl-4-methylidenecyclooctane?
The InChIKey is CSDUQFGTARJEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-9-5-3-4-6-10(2)8-7-9/h10H,1,3-8H2,2H3.
What are the key properties of 1-methyl-4-methylidenecyclooctane?
1-methyl-4-methylidenecyclooctane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidenecyclooctane is sourced from PubChem (CID 57182934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).