(E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol

C12H23ClO — CID 143524878

IUPAC(E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol
SMILESC/C=C(/Cl)CCC(C)C(O)(CC)CC
InChIInChI=1S/C12H23ClO/c1-5-11(13)9-8-10(4)12(14,6-2)7-3/h5,10,14H,6-9H2,1-4H3/b11-5+
InChIKeyPTWBBVUROLZTOF-VZUCSPMQSA-N
MW218.77 g/mol
LogP4.10
Rot. Bonds6

About (E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol

(E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol (PubChem CID 143524878) has the molecular formula C12H23ClO and a molecular weight of 218.77 g/mol. Its IUPAC name is (E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol.

Molecular Properties

Compound Name(E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol
PubChem CID143524878
Molecular FormulaC12H23ClO
Molecular Weight218.77 g/mol
Exact Mass218.14
IUPAC Name(E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol
SMILESC/C=C(/Cl)CCC(C)C(O)(CC)CC
InChIInChI=1S/C12H23ClO/c1-5-11(13)9-8-10(4)12(14,6-2)7-3/h5,10,14H,6-9H2,1-4H3/b11-5+
InChIKeyPTWBBVUROLZTOF-VZUCSPMQSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 173066950
3-(methoxymethyl)-4-methylheptan-3-ol
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4,6-di(butan-2-yl)-5-ethyl-3,7-dimethylnonane-4,6-diol
CID 175564965
(4Z)-4-ethylidene-5-methylnonane
CID 142307818
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
3-ethyl-2,5,6,6-tetramethylheptan-3-ol
CID 156689233
3-ethylhept-6-ene-3,4-diol
CID 57004244
ethane;2-ethyl-3-methylbutane-1,2-diol
CID 143778282
1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol
CID 89097736
3-ethyl-3-hydroxy-2-methylpentanoic acid
CID 13460237
3,3,4,5-tetramethylheptan-4-ol
CID 22899418

Frequently Asked Questions

What is the IUPAC name of (E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol?
The IUPAC name of (E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol (CID 143524878) is (E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol.
What is the SMILES notation for (E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol?
The canonical SMILES for (E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol is C/C=C(/Cl)CCC(C)C(O)(CC)CC.
What is the InChIKey of (E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol?
The InChIKey is PTWBBVUROLZTOF-VZUCSPMQSA-N. The full InChI is InChI=1S/C12H23ClO/c1-5-11(13)9-8-10(4)12(14,6-2)7-3/h5,10,14H,6-9H2,1-4H3/b11-5+.
What are the key properties of (E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol?
(E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol has a molecular weight of 218.77 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol is sourced from PubChem (CID 143524878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).