(4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene

C14H24 — CID 101382621

IUPAC(4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene
SMILES[2H][C@]1(CC(C)C)C[C@H](C(=C)C)CC=C1C
InChIInChI=1S/C14H24/c1-10(2)8-14-9-13(11(3)4)7-6-12(14)5/h6,10,13-14H,3,7-9H2,1-2,4-5H3/t13-,14+/m1/s1/i14D
InChIKeyCJQRNGPBIAEXMG-OSBXQCMISA-N
MW193.35 g/mol
LogP4.58
Rot. Bonds3

About (4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene

(4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene (PubChem CID 101382621) has the molecular formula C14H24 and a molecular weight of 193.35 g/mol. Its IUPAC name is (4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene
PubChem CID101382621
Molecular FormulaC14H24
Molecular Weight193.35 g/mol
Exact Mass193.19
IUPAC Name(4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene
SMILES[2H][C@]1(CC(C)C)C[C@H](C(=C)C)CC=C1C
InChIInChI=1S/C14H24/c1-10(2)8-14-9-13(11(3)4)7-6-12(14)5/h6,10,13-14H,3,7-9H2,1-2,4-5H3/t13-,14+/m1/s1/i14D
InChIKeyCJQRNGPBIAEXMG-OSBXQCMISA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.35
LogP ≤ 54.58
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

(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 11789656
1-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]peroxyethanol
CID 140938951
(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 14889719
ethyl (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carboxylate
CID 102015354
dimethyl 2-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]propanedioate
CID 11821550
[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] prop-2-enoate
CID 118478416
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-methylprop-2-enoate
CID 118478440
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite
CID 169007971
2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile
CID 140603206
(4R,6S)-6-(2-bromo-1-ethoxyethoxy)-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 57207982
ethyl [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] carbonate
CID 135315960
(4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 123301417

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene (CID 101382621) is (4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene is [2H][C@]1(CC(C)C)C[C@H](C(=C)C)CC=C1C.
What is the InChIKey of (4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene?
The InChIKey is CJQRNGPBIAEXMG-OSBXQCMISA-N. The full InChI is InChI=1S/C14H24/c1-10(2)8-14-9-13(11(3)4)7-6-12(14)5/h6,10,13-14H,3,7-9H2,1-2,4-5H3/t13-,14+/m1/s1/i14D.
What are the key properties of (4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene?
(4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene has a molecular weight of 193.35 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 101382621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).