1,2,4-trimethylcyclohexane;vanadium

C9H17V- — CID 154692065

IUPAC1,2,4-trimethylcyclohexane;vanadium
SMILESCC1[CH-]CC(C)C(C)C1.[V]
InChIInChI=1S/C9H17.V/c1-7-4-5-8(2)9(3)6-7;/h4,7-9H,5-6H2,1-3H3;/q-1;
InChIKeyDKJCSPOHZUZCKJ-UHFFFAOYSA-N
MW176.18 g/mol
LogP2.89
Rot. Bonds

About 1,2,4-trimethylcyclohexane;vanadium

1,2,4-trimethylcyclohexane;vanadium (PubChem CID 154692065) has the molecular formula C9H17V- and a molecular weight of 176.18 g/mol. Its IUPAC name is 1,2,4-trimethylcyclohexane;vanadium.

Molecular Properties

Compound Name1,2,4-trimethylcyclohexane;vanadium
PubChem CID154692065
Molecular FormulaC9H17V-
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name1,2,4-trimethylcyclohexane;vanadium
SMILESCC1[CH-]CC(C)C(C)C1.[V]
InChIInChI=1S/C9H17.V/c1-7-4-5-8(2)9(3)6-7;/h4,7-9H,5-6H2,1-3H3;/q-1;
InChIKeyDKJCSPOHZUZCKJ-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
1,2,4-trimethylcyclohexane
CID 140776035
1,2,3-trimethylcyclopentane;yttrium
CID 158831076
1,2-dimethylcyclopropane;propane
CID 143337919
methane;1,2,4-trimethylcyclopentane
CID 157268000
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
carboxy hydrogen carbonate;1,2-dimethylcyclopropane
CID 88768379
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane
CID 90160887
trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458
1,2-dimethylcyclopropane;2-methylpropane;propane
CID 142614988
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane
CID 153365262
cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 124835796

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethylcyclohexane;vanadium?
The IUPAC name of 1,2,4-trimethylcyclohexane;vanadium (CID 154692065) is 1,2,4-trimethylcyclohexane;vanadium.
What is the SMILES notation for 1,2,4-trimethylcyclohexane;vanadium?
The canonical SMILES for 1,2,4-trimethylcyclohexane;vanadium is CC1[CH-]CC(C)C(C)C1.[V].
What is the InChIKey of 1,2,4-trimethylcyclohexane;vanadium?
The InChIKey is DKJCSPOHZUZCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17.V/c1-7-4-5-8(2)9(3)6-7;/h4,7-9H,5-6H2,1-3H3;/q-1;.
What are the key properties of 1,2,4-trimethylcyclohexane;vanadium?
1,2,4-trimethylcyclohexane;vanadium has a molecular weight of 176.18 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylcyclohexane;vanadium is sourced from PubChem (CID 154692065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).