1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane

C15H26 — CID 100977936

IUPAC1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
SMILESC=CC1(C)CCC(C(=C)C)CC1C(C)C
InChIInChI=1S/C15H26/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,12-14H,1-2,8-10H2,3-6H3
InChIKeyJKJIXWRZPFDCDS-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.83
Rot. Bonds3

About 1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane

1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane (PubChem CID 100977936) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
PubChem CID100977936
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
SMILESC=CC1(C)CCC(C(=C)C)CC1C(C)C
InChIInChI=1S/C15H26/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,12-14H,1-2,8-10H2,3-6H3
InChIKeyJKJIXWRZPFDCDS-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
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

(1R,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 641756
(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 132988527
2-[(1R,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]prop-2-enal
CID 15143900
(1E,3S,6S,9R)-3,9-dimethyl-6-propan-2-ylcyclodecene;(1R,2R,4S)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 173064160
(1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 101280480
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295
(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol
CID 59881047
(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane
CID 163017053
(1S,3aS,4R,7S,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
CID 71719409
cis-(1R,4R)-2-[(2R,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]tellanyl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 177393311
1-ethenyl-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-2-prop-1-en-2-ylcyclohexane
CID 163061333
6-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)-2-methylhepta-3,6-dien-2-ol
CID 75220676

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane (CID 100977936) is 1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane is C=CC1(C)CCC(C(=C)C)CC1C(C)C.
What is the InChIKey of 1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane?
The InChIKey is JKJIXWRZPFDCDS-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/h7,12-14H,1-2,8-10H2,3-6H3.
What are the key properties of 1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane?
1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane has a molecular weight of 206.37 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 100977936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).