(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene

C11H18 — CID 167459403

IUPAC(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1CCC(C)=CC1C
InChIInChI=1S/C11H18/c1-8(2)11-6-5-9(3)7-10(11)4/h7,10-11H,1,5-6H2,2-4H3/t10?,11-/m0/s1
InChIKeyMNSFOWNLDQSWBK-DTIOYNMSSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds1

About (4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene

(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 167459403) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene
PubChem CID167459403
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1CCC(C)=CC1C
InChIInChI=1S/C11H18/c1-8(2)11-6-5-9(3)7-10(11)4/h7,10-11H,1,5-6H2,2-4H3/t10?,11-/m0/s1
InChIKeyMNSFOWNLDQSWBK-DTIOYNMSSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.55
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

2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-[(6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-4-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3,5-triol
CID 155605936
1-methyl-3-propan-2-yl-4-prop-1-en-2-ylcyclohexene
CID 164823241
1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene
CID 58674044
(1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane
CID 143590752
2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)acetaldehyde
CID 146512478
2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid
CID 11586606
2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3,5-triol
CID 155318975
(E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol
CID 146332786
5-chloro-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 134237519
[(1R,2E,6E,10E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-yl] acetate
CID 14217930
2-amino-4-methylcyclohex-3-ene-1-carboxylic acid;hydrochloride
CID 19958299
3-but-1-en-2-yl-1,4-dimethylcyclohexene
CID 143054274

Frequently Asked Questions

What is the IUPAC name of (4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene (CID 167459403) is (4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene is C=C(C)[C@@H]1CCC(C)=CC1C.
What is the InChIKey of (4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is MNSFOWNLDQSWBK-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H18/c1-8(2)11-6-5-9(3)7-10(11)4/h7,10-11H,1,5-6H2,2-4H3/t10?,11-/m0/s1.
What are the key properties of (4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene?
(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 150.26 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 167459403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).