ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene

C15H32O2S — CID 143329344

IUPACethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene
SMILESC=CC.CC.CC/C(=C(\C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H20O2S.C3H6.C2H6/c1-7-9(10(3,4)5)8(2)13(6,11)12;1-3-2;1-2/h7H2,1-6H3;3H,1H2,2H3;1-2H3/b9-8-;;
InChIKeyGQQDIRLKBOMZDO-ULDSSAIZSA-N
MW276.49 g/mol
LogP4.98
Rot. Bonds2

About ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene

ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene (PubChem CID 143329344) has the molecular formula C15H32O2S and a molecular weight of 276.49 g/mol. Its IUPAC name is ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene.

Molecular Properties

Compound Nameethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene
PubChem CID143329344
Molecular FormulaC15H32O2S
Molecular Weight276.49 g/mol
Exact Mass276.21
IUPAC Nameethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene
SMILESC=CC.CC.CC/C(=C(\C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H20O2S.C3H6.C2H6/c1-7-9(10(3,4)5)8(2)13(6,11)12;1-3-2;1-2/h7H2,1-6H3;3H,1H2,2H3;1-2H3/b9-8-;;
InChIKeyGQQDIRLKBOMZDO-ULDSSAIZSA-N
XLogP4.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene
CID 3036401
(Z)-3-ethyl-2,2,4-trimethylhex-3-ene
CID 142554814
propane;propan-2-one;prop-1-ene
CID 160807834
methane;(Z)-3-methylpent-2-ene;prop-1-ene
CID 142993133
ethane;prop-1-ene;2,2,3,3-tetramethylbutane
CID 153390024
butan-2-one;ethane;1-methylsulfonylethane;propane
CID 159716961
acetaldehyde;prop-1-ene
CID 157049777
ethane;bis(prop-1-ene)
CID 91426438
ethane;tetrakis(prop-1-ene)
CID 90918926
(Z)-N-ethenyl-2,2-dimethylhex-4-en-3-imine
CID 129035901
2-methyl-2-(4-methylhexa-1,3-dien-3-yl)propanedioic acid
CID 90731067
(6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene
CID 166123890

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene?
The IUPAC name of ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene (CID 143329344) is ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene.
What is the SMILES notation for ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene?
The canonical SMILES for ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene is C=CC.CC.CC/C(=C(\C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene?
The InChIKey is GQQDIRLKBOMZDO-ULDSSAIZSA-N. The full InChI is InChI=1S/C10H20O2S.C3H6.C2H6/c1-7-9(10(3,4)5)8(2)13(6,11)12;1-3-2;1-2/h7H2,1-6H3;3H,1H2,2H3;1-2H3/b9-8-;;.
What are the key properties of ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene?
ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene has a molecular weight of 276.49 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-ethyl-4,4-dimethyl-2-methylsulfonylpent-2-ene;prop-1-ene is sourced from PubChem (CID 143329344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).