1,2,3-trimethyl-4-methylidenecyclohexane

C10H18 — CID 123416600

IUPAC1,2,3-trimethyl-4-methylidenecyclohexane
SMILESC=C1CCC(C)C(C)C1C
InChIInChI=1S/C10H18/c1-7-5-6-8(2)10(4)9(7)3/h8-10H,1,5-6H2,2-4H3
InChIKeyVCZYKVBKMJRANH-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds

About 1,2,3-trimethyl-4-methylidenecyclohexane

1,2,3-trimethyl-4-methylidenecyclohexane (PubChem CID 123416600) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-methylidenecyclohexane.

Molecular Properties

Compound Name1,2,3-trimethyl-4-methylidenecyclohexane
PubChem CID123416600
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2,3-trimethyl-4-methylidenecyclohexane
SMILESC=C1CCC(C)C(C)C1C
InChIInChI=1S/C10H18/c1-7-5-6-8(2)10(4)9(7)3/h8-10H,1,5-6H2,2-4H3
InChIKeyVCZYKVBKMJRANH-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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

1,2-dimethyl-3-methylidenecyclopentane
CID 529615
1,2-dimethyl-3-methylidenecyclohexane
CID 54109337
1-methyl-2-methylidenecyclobutane
CID 20800914
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane
CID 148895610
1-ethyl-2-methyl-3-methylidenecyclohexane
CID 123889355
(1S,2S,4aR,8R,8aS)-2,8-dimethyl-5-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1,2-diol
CID 91895386
3-methyl-4-methylidenecyclohexan-1-ol
CID 91313026
trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine
CID 89221861
2-methyl-3-methylidenecyclohexane-1-carboxamide
CID 91260621
3-methyl-6-methylideneoxan-2-ol
CID 59696806
1,2,3-trimethylcycloheptane
CID 54005509

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-methylidenecyclohexane?
The IUPAC name of 1,2,3-trimethyl-4-methylidenecyclohexane (CID 123416600) is 1,2,3-trimethyl-4-methylidenecyclohexane.
What is the SMILES notation for 1,2,3-trimethyl-4-methylidenecyclohexane?
The canonical SMILES for 1,2,3-trimethyl-4-methylidenecyclohexane is C=C1CCC(C)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-4-methylidenecyclohexane?
The InChIKey is VCZYKVBKMJRANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7-5-6-8(2)10(4)9(7)3/h8-10H,1,5-6H2,2-4H3.
What are the key properties of 1,2,3-trimethyl-4-methylidenecyclohexane?
1,2,3-trimethyl-4-methylidenecyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-methylidenecyclohexane is sourced from PubChem (CID 123416600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).