1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane

C15H26 — CID 71404677

IUPAC1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)C1CCC(C)(CC)C(C(=C)C)C1
InChIInChI=1S/C15H26/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h13-14H,2,4,7-10H2,1,3,5-6H3
InChIKeyISQNMVFLBCGJAN-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.97
Rot. Bonds3

About 1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane

1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane (PubChem CID 71404677) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
PubChem CID71404677
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)C1CCC(C)(CC)C(C(=C)C)C1
InChIInChI=1S/C15H26/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h13-14H,2,4,7-10H2,1,3,5-6H3
InChIKeyISQNMVFLBCGJAN-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.97
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

Beta-Pinene
CID 14896
Beta-Elemene
CID 6918391
(-)-beta-Pinene
CID 440967
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-
CID 10583
Beta-Selinene
CID 442393
beta-Pinene, (+)-
CID 10290825
2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 10123
7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene
CID 519361
alpha-Selinene
CID 10856614
1,6-Methanonaphthalene, decahydro-1,4,8a-trimethyl-9-methylene-, (1S,4S,4aS,6R,8aS)-(-)-
CID 519743
(-)-7-epi-alpha-Selinene
CID 10726905
a Bicycloelemene
CID 76419358

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane?
The IUPAC name of 1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane (CID 71404677) is 1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane.
What is the SMILES notation for 1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane?
The canonical SMILES for 1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane is C=C(C)C1CCC(C)(CC)C(C(=C)C)C1.
What is the InChIKey of 1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane?
The InChIKey is ISQNMVFLBCGJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h13-14H,2,4,7-10H2,1,3,5-6H3.
What are the key properties of 1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane?
1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane has a molecular weight of 206.37 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 71404677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).