(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene

C12H18 — CID 145347236

IUPAC(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene
SMILESC=CC1=C(/C=C\C)CCC[C@H]1C
InChIInChI=1S/C12H18/c1-4-7-11-9-6-8-10(3)12(11)5-2/h4-5,7,10H,2,6,8-9H2,1,3H3/b7-4-/t10-/m1/s1
InChIKeyLOBJEFLOTNNKDA-ISGFRBBESA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds2

About (3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene

(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene (PubChem CID 145347236) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene.

Molecular Properties

Compound Name(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene
PubChem CID145347236
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene
SMILESC=CC1=C(/C=C\C)CCC[C@H]1C
InChIInChI=1S/C12H18/c1-4-7-11-9-6-8-10(3)12(11)5-2/h4-5,7,10H,2,6,8-9H2,1,3H3/b7-4-/t10-/m1/s1
InChIKeyLOBJEFLOTNNKDA-ISGFRBBESA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene
CID 142216483
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
CID 144706581
1,2-bis[(Z)-prop-1-enyl]cyclohexene;ethane
CID 144583134
8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine
CID 143698493
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 70273510
(1R)-2,3-bis(ethenyl)cyclohex-2-en-1-ol;ethane;fluoromethane
CID 143947837
(1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143343575
ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
CID 143453691
ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine
CID 143757912
2-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]cyclohexene
CID 157035791
1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene
CID 153346791
3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol
CID 143180864

Frequently Asked Questions

What is the IUPAC name of (3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene?
The IUPAC name of (3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene (CID 145347236) is (3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene.
What is the SMILES notation for (3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene?
The canonical SMILES for (3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene is C=CC1=C(/C=C\C)CCC[C@H]1C.
What is the InChIKey of (3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene?
The InChIKey is LOBJEFLOTNNKDA-ISGFRBBESA-N. The full InChI is InChI=1S/C12H18/c1-4-7-11-9-6-8-10(3)12(11)5-2/h4-5,7,10H,2,6,8-9H2,1,3H3/b7-4-/t10-/m1/s1.
What are the key properties of (3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene?
(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene is sourced from PubChem (CID 145347236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).