methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

C25H50O2 — CID 160936177

IUPACmethane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
SMILESC.C.C.C.C.C=C(C)[C@@H]1CC=C(C)C(=O)C1.C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1
InChIInChI=1S/C10H16O.C10H14O.5CH4/c2*1-7(2)9-5-4-8(3)10(11)6-9;;;;;/h8-9H,1,4-6H2,2-3H3;4,9H,1,5-6H2,2-3H3;5*1H4/t8-,9-;9-;;;;;/m11...../s1
InChIKeySTXBJLQQXYPWND-JEUYCCKESA-N
MW382.67 g/mol
LogP8.24
Rot. Bonds2

About methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one (PubChem CID 160936177) has the molecular formula C25H50O2 and a molecular weight of 382.67 g/mol. Its IUPAC name is methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one.

Molecular Properties

Compound Namemethane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
PubChem CID160936177
Molecular FormulaC25H50O2
Molecular Weight382.67 g/mol
Exact Mass382.38
IUPAC Namemethane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
SMILESC.C.C.C.C.C=C(C)[C@@H]1CC=C(C)C(=O)C1.C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1
InChIInChI=1S/C10H16O.C10H14O.5CH4/c2*1-7(2)9-5-4-8(3)10(11)6-9;;;;;/h8-9H,1,4-6H2,2-3H3;4,9H,1,5-6H2,2-3H3;5*1H4/t8-,9-;9-;;;;;/m11...../s1
InChIKeySTXBJLQQXYPWND-JEUYCCKESA-N
XLogP8.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel
CID 87784204
azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen
CID 172962853
5-but-1-en-2-yl-2-methylcyclohex-2-en-1-one
CID 142437984
(2R,6R,10R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione
CID 23428264
(5R)-5-(3-bromoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one
CID 11345224
5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one
CID 139655338
bis(3-cyclohexyl-1-[11,17,23-tris(3-cyclohexylpropanoyl)-25,26,27,28-tetrahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]propan-1-one);bis((5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one)
CID 139195695
5-(3-chloroprop-1-en-2-yl)-2-methylcyclohexan-1-one
CID 71340125
(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane
CID 142025260
1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone
CID 45085864
4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 5410881
4-[2-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid
CID 8971356

Frequently Asked Questions

What is the IUPAC name of methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The IUPAC name of methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one (CID 160936177) is methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one.
What is the SMILES notation for methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The canonical SMILES for methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one is C.C.C.C.C.C=C(C)[C@@H]1CC=C(C)C(=O)C1.C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1.
What is the InChIKey of methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The InChIKey is STXBJLQQXYPWND-JEUYCCKESA-N. The full InChI is InChI=1S/C10H16O.C10H14O.5CH4/c2*1-7(2)9-5-4-8(3)10(11)6-9;;;;;/h8-9H,1,4-6H2,2-3H3;4,9H,1,5-6H2,2-3H3;5*1H4/t8-,9-;9-;;;;;/m11...../s1.
What are the key properties of methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one has a molecular weight of 382.67 g/mol, XLogP of 8.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one is sourced from PubChem (CID 160936177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).