(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane

C15H26 — CID 163017053

IUPAC(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane
SMILESC=C[C@]1(C)CCC[C@H](C(C)C)[C@H]1C(=C)C
InChIInChI=1S/C15H26/c1-7-15(6)10-8-9-13(11(2)3)14(15)12(4)5/h7,11,13-14H,1,4,8-10H2,2-3,5-6H3/t13-,14-,15-/m1/s1
InChIKeyFODRFKPKWLQAPL-RBSFLKMASA-N
MW206.37 g/mol
LogP4.83
Rot. Bonds3

About (1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane

(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane (PubChem CID 163017053) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane
PubChem CID163017053
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane
SMILESC=C[C@]1(C)CCC[C@H](C(C)C)[C@H]1C(=C)C
InChIInChI=1S/C15H26/c1-7-15(6)10-8-9-13(11(2)3)14(15)12(4)5/h7,11,13-14H,1,4,8-10H2,2-3,5-6H3/t13-,14-,15-/m1/s1
InChIKeyFODRFKPKWLQAPL-RBSFLKMASA-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,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 101280480
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
CID 100977936
1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one
CID 135081225
1,2-dimethyl-3-propan-2-ylcyclohexan-1-ol
CID 22561619
(1R,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 641756
(2S)-2-[(1S,2S,3R,4S)-4-ethenyl-2-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]propanoic acid
CID 23253243
1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
CID 166560829
(1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol
CID 10857067
(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 132988527
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one
CID 162987528

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of (1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane (CID 163017053) is (1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for (1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for (1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane is C=C[C@]1(C)CCC[C@H](C(C)C)[C@H]1C(=C)C.
What is the InChIKey of (1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane?
The InChIKey is FODRFKPKWLQAPL-RBSFLKMASA-N. The full InChI is InChI=1S/C15H26/c1-7-15(6)10-8-9-13(11(2)3)14(15)12(4)5/h7,11,13-14H,1,4,8-10H2,2-3,5-6H3/t13-,14-,15-/m1/s1.
What are the key properties of (1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane?
(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-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 (1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 163017053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).