1,3,5-trimethyl-2-methylidenecyclohexane

C10H18 — CID 58661247

IUPAC1,3,5-trimethyl-2-methylidenecyclohexane
SMILESC=C1C(C)CC(C)CC1C
InChIInChI=1S/C10H18/c1-7-5-8(2)10(4)9(3)6-7/h7-9H,4-6H2,1-3H3
InChIKeyREMPFSSTMSHQJY-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds

About 1,3,5-trimethyl-2-methylidenecyclohexane

1,3,5-trimethyl-2-methylidenecyclohexane (PubChem CID 58661247) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-methylidenecyclohexane.

Molecular Properties

Compound Name1,3,5-trimethyl-2-methylidenecyclohexane
PubChem CID58661247
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,3,5-trimethyl-2-methylidenecyclohexane
SMILESC=C1C(C)CC(C)CC1C
InChIInChI=1S/C10H18/c1-7-5-8(2)10(4)9(3)6-7/h7-9H,4-6H2,1-3H3
InChIKeyREMPFSSTMSHQJY-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

5-bromo-1,3-dimethyl-2-methylidenecyclohexane
CID 90900208
3-methyl-8-methylidenebicyclo[3.2.1]octane
CID 90879881
1,4-dimethyl-2-methylidenecyclopentane;ethane
CID 144973768
3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane
CID 23567814
(2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane
CID 130179044
trans-(2S,6S)-2-(hydroxymethyl)-4,6-dimethylcyclohexan-1-one
CID 67149597
cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
CID 130964756
4,6-dimethyl-2-methylidenecyclohexane-1,3-dione
CID 70519866
1,3-dimethyl-5-prop-1-en-2-ylcyclohexane
CID 90969258
3-methyl-4-methylidenecyclohexan-1-ol
CID 91313026
(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol
CID 131136395
2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol
CID 174938123

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-methylidenecyclohexane?
The IUPAC name of 1,3,5-trimethyl-2-methylidenecyclohexane (CID 58661247) is 1,3,5-trimethyl-2-methylidenecyclohexane.
What is the SMILES notation for 1,3,5-trimethyl-2-methylidenecyclohexane?
The canonical SMILES for 1,3,5-trimethyl-2-methylidenecyclohexane is C=C1C(C)CC(C)CC1C.
What is the InChIKey of 1,3,5-trimethyl-2-methylidenecyclohexane?
The InChIKey is REMPFSSTMSHQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7-5-8(2)10(4)9(3)6-7/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-2-methylidenecyclohexane?
1,3,5-trimethyl-2-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 1,3,5-trimethyl-2-methylidenecyclohexane is sourced from PubChem (CID 58661247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).