(4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene

C10H16 — CID 10796799

IUPAC(4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILES[2H]C1=C(C)CC[C@@H](C(=C)C)C1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1/i4D
InChIKeyXMGQYMWWDOXHJM-RORIYYTMSA-N
MW137.24 g/mol
LogP3.31
Rot. Bonds1

About (4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene

(4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 10796799) has the molecular formula C10H16 and a molecular weight of 137.24 g/mol. Its IUPAC name is (4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID10796799
Molecular FormulaC10H16
Molecular Weight137.24 g/mol
Exact Mass137.13
IUPAC Name(4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILES[2H]C1=C(C)CC[C@@H](C(=C)C)C1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1/i4D
InChIKeyXMGQYMWWDOXHJM-RORIYYTMSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.24
LogP ≤ 53.31
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

ethane-1,2-diol;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 67811623
(1E,5E,8R,10R)-1,5-dimethyl-8,10-bis(prop-1-en-2-yl)cyclododeca-1,5-diene
CID 14192378
(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
CID 162887924
3H-dithiole;(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 88767359
ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 143245192
(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol
CID 102066424
imidazolidine-2,4-dione;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 131964076
(4S)-1-[(E)-but-1-en-3-ynyl]-4-prop-1-en-2-ylcyclohexene
CID 101100723
(1S,5Z,9S)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-en-1-ol
CID 163074958
1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 167683772
1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene
CID 71343459
1-(trideuteriomethyl)-4-(3,3,3-trideuterioprop-1-en-2-yl)cyclohexene;2,2,2-trideuterio-1-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]ethanone
CID 167554979

Frequently Asked Questions

What is the IUPAC name of (4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 10796799) is (4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene is [2H]C1=C(C)CC[C@@H](C(=C)C)C1.
What is the InChIKey of (4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is XMGQYMWWDOXHJM-RORIYYTMSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1/i4D.
What are the key properties of (4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene?
(4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 137.24 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-deuterio-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 10796799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).