ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol

C17H30O — CID 143867256

IUPACethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol
SMILESCC.CC.Cc1cccc(/C=C/CC[C@@H](C)O)c1
InChIInChI=1S/C13H18O.2C2H6/c1-11-6-5-9-13(10-11)8-4-3-7-12(2)14;2*1-2/h4-6,8-10,12,14H,3,7H2,1-2H3;2*1-2H3/b8-4+;;/t12-;;/m1../s1
InChIKeyKKJAOXWFPAUIFJ-LFDVWUTOSA-N
MW250.43 g/mol
LogP5.22
Rot. Bonds4

About ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol

ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol (PubChem CID 143867256) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol.

Molecular Properties

Compound Nameethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol
PubChem CID143867256
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Nameethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol
SMILESCC.CC.Cc1cccc(/C=C/CC[C@@H](C)O)c1
InChIInChI=1S/C13H18O.2C2H6/c1-11-6-5-9-13(10-11)8-4-3-7-12(2)14;2*1-2/h4-6,8-10,12,14H,3,7H2,1-2H3;2*1-2H3/b8-4+;;/t12-;;/m1../s1
InChIKeyKKJAOXWFPAUIFJ-LFDVWUTOSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol?
The IUPAC name of ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol (CID 143867256) is ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol.
What is the SMILES notation for ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol?
The canonical SMILES for ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol is CC.CC.Cc1cccc(/C=C/CC[C@@H](C)O)c1.
What is the InChIKey of ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol?
The InChIKey is KKJAOXWFPAUIFJ-LFDVWUTOSA-N. The full InChI is InChI=1S/C13H18O.2C2H6/c1-11-6-5-9-13(10-11)8-4-3-7-12(2)14;2*1-2/h4-6,8-10,12,14H,3,7H2,1-2H3;2*1-2H3/b8-4+;;/t12-;;/m1../s1.
What are the key properties of ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol?
ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol has a molecular weight of 250.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol is sourced from PubChem (CID 143867256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).