1,2,4-trimethyl-6-prop-1-enylcyclooctane

C14H26 — CID 123792148

IUPAC1,2,4-trimethyl-6-prop-1-enylcyclooctane
SMILESCC=CC1CCC(C)C(C)CC(C)C1
InChIInChI=1S/C14H26/c1-5-6-14-8-7-12(3)13(4)9-11(2)10-14/h5-6,11-14H,7-10H2,1-4H3
InChIKeyIGDFDRAQTKHTJH-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.66
Rot. Bonds1

About 1,2,4-trimethyl-6-prop-1-enylcyclooctane

1,2,4-trimethyl-6-prop-1-enylcyclooctane (PubChem CID 123792148) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1,2,4-trimethyl-6-prop-1-enylcyclooctane.

Molecular Properties

Compound Name1,2,4-trimethyl-6-prop-1-enylcyclooctane
PubChem CID123792148
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1,2,4-trimethyl-6-prop-1-enylcyclooctane
SMILESCC=CC1CCC(C)C(C)CC(C)C1
InChIInChI=1S/C14H26/c1-5-6-14-8-7-12(3)13(4)9-11(2)10-14/h5-6,11-14H,7-10H2,1-4H3
InChIKeyIGDFDRAQTKHTJH-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.66
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

1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane
CID 20661398
1,2,4,7-tetramethylcyclononane
CID 123661715
trans-(1R,3R)-3-[(Z)-prop-1-enyl]cyclopentane-1-carboxylic acid
CID 131847672
methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 159017755
methane;1,2,4-trimethylcyclopentane
CID 157268000
2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 59775475
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
4-[(E)-prop-1-enyl]cyclohexan-1-amine
CID 54523071
4-[(E)-prop-1-enyl]cyclohexan-1-ol
CID 14498680
2,3-difluoro-1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 59866396
1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane
CID 142973794
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-6-prop-1-enylcyclooctane?
The IUPAC name of 1,2,4-trimethyl-6-prop-1-enylcyclooctane (CID 123792148) is 1,2,4-trimethyl-6-prop-1-enylcyclooctane.
What is the SMILES notation for 1,2,4-trimethyl-6-prop-1-enylcyclooctane?
The canonical SMILES for 1,2,4-trimethyl-6-prop-1-enylcyclooctane is CC=CC1CCC(C)C(C)CC(C)C1.
What is the InChIKey of 1,2,4-trimethyl-6-prop-1-enylcyclooctane?
The InChIKey is IGDFDRAQTKHTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-5-6-14-8-7-12(3)13(4)9-11(2)10-14/h5-6,11-14H,7-10H2,1-4H3.
What are the key properties of 1,2,4-trimethyl-6-prop-1-enylcyclooctane?
1,2,4-trimethyl-6-prop-1-enylcyclooctane has a molecular weight of 194.36 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-6-prop-1-enylcyclooctane is sourced from PubChem (CID 123792148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).