1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane

C14H26 — CID 90743397

IUPAC1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane
SMILESCCCC1CCCC(C)C1=CC(C)C
InChIInChI=1S/C14H26/c1-5-7-13-9-6-8-12(4)14(13)10-11(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPBRKOBKSWLBDQX-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.81
Rot. Bonds3

About 1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane

1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane (PubChem CID 90743397) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane
PubChem CID90743397
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane
SMILESCCCC1CCCC(C)C1=CC(C)C
InChIInChI=1S/C14H26/c1-5-7-13-9-6-8-12(4)14(13)10-11(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPBRKOBKSWLBDQX-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.81
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

trans-(2S,6S)-2,6-dipropylcyclohexan-1-one
CID 12712312
butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane
CID 160734051
11-methyl-5-propyl-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyrazine
CID 143716410
3-methyl-7-propyloxepan-2-one
CID 25003699
1-methyl-2-(2-methylpropylidene)cycloheptane
CID 134902820
2-methylbutane;methylcyclobutane
CID 57473841
10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716484
11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran
CID 143716329
(2R)-1-methylidene-2-propylcyclohexane
CID 134991246
(3R)-1,2-dimethyl-3-propylcyclohexene
CID 143703597
1-methyl-4-propylcycloheptane
CID 90967653
1-methyl-5-propylcyclononane
CID 54361658

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane?
The IUPAC name of 1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane (CID 90743397) is 1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane.
What is the SMILES notation for 1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane?
The canonical SMILES for 1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane is CCCC1CCCC(C)C1=CC(C)C.
What is the InChIKey of 1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane?
The InChIKey is PBRKOBKSWLBDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-5-7-13-9-6-8-12(4)14(13)10-11(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane?
1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane has a molecular weight of 194.36 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane is sourced from PubChem (CID 90743397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).