(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane

C14H22 — CID 132988527

IUPAC(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
SMILESC=C[C@H]1C[C@H](C(=C)C)CC[C@@]1(C)C=C
InChIInChI=1S/C14H22/c1-6-13-10-12(11(3)4)8-9-14(13,5)7-2/h6-7,12-13H,1-3,8-10H2,4-5H3/t12-,13+,14-/m1/s1
InChIKeyNMQLKXNABMBXMS-HZSPNIEDSA-N
MW190.33 g/mol
LogP4.36
Rot. Bonds3

About (1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane

(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane (PubChem CID 132988527) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
PubChem CID132988527
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
SMILESC=C[C@H]1C[C@H](C(=C)C)CC[C@@]1(C)C=C
InChIInChI=1S/C14H22/c1-6-13-10-12(11(3)4)8-9-14(13,5)7-2/h6-7,12-13H,1-3,8-10H2,4-5H3/t12-,13+,14-/m1/s1
InChIKeyNMQLKXNABMBXMS-HZSPNIEDSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.36
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
1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
CID 100977936
2-[(1R,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]prop-2-enal
CID 15143900
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295
(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
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl acetate
CID 118700299
(4aR,6S,8aR)-8a-methyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-benzo[b][1,4]oxathiine
CID 101418903
3-(3,3-dimethyloxiran-2-yl)-1-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-en-1-one
CID 74052518
(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

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane?
The IUPAC name of (1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane (CID 132988527) is (1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for (1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane?
The canonical SMILES for (1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane is C=C[C@H]1C[C@H](C(=C)C)CC[C@@]1(C)C=C.
What is the InChIKey of (1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane?
The InChIKey is NMQLKXNABMBXMS-HZSPNIEDSA-N. The full InChI is InChI=1S/C14H22/c1-6-13-10-12(11(3)4)8-9-14(13,5)7-2/h6-7,12-13H,1-3,8-10H2,4-5H3/t12-,13+,14-/m1/s1.
What are the key properties of (1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane?
(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane has a molecular weight of 190.33 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 132988527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).