3-ethyl-6-methyltridec-7-ene-2,4-diol

C16H32O2 — CID 175158260

IUPAC3-ethyl-6-methyltridec-7-ene-2,4-diol
SMILESCCCCCC=CC(C)CC(O)C(CC)C(C)O
InChIInChI=1S/C16H32O2/c1-5-7-8-9-10-11-13(3)12-16(18)15(6-2)14(4)17/h10-11,13-18H,5-9,12H2,1-4H3
InChIKeyXPJMDJAYQFODPE-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.92
Rot. Bonds10

About 3-ethyl-6-methyltridec-7-ene-2,4-diol

3-ethyl-6-methyltridec-7-ene-2,4-diol (PubChem CID 175158260) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-ethyl-6-methyltridec-7-ene-2,4-diol.

Molecular Properties

Compound Name3-ethyl-6-methyltridec-7-ene-2,4-diol
PubChem CID175158260
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name3-ethyl-6-methyltridec-7-ene-2,4-diol
SMILESCCCCCC=CC(C)CC(O)C(CC)C(C)O
InChIInChI=1S/C16H32O2/c1-5-7-8-9-10-11-13(3)12-16(18)15(6-2)14(4)17/h10-11,13-18H,5-9,12H2,1-4H3
InChIKeyXPJMDJAYQFODPE-UHFFFAOYSA-N
XLogP3.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methyldec-4-ene
CID 5364642
3-methyltetradec-4-ene
CID 123180851
(Z,2R)-non-3-en-2-ol
CID 11040800
(E,2S,3S)-3-methylundec-4-en-2-ol
CID 10465011
undec-3-en-2-ol
CID 174515693
5-methyldodec-6-ene
CID 86165480
(E)-3-methylnon-4-ene
CID 13082837
5-methylpentadec-6-ene
CID 123440014
(E,11S)-11-methyltricos-9-ene
CID 163215390
undec-5-en-4-ol
CID 73071371
(E)-10-methylheptadec-8-ene
CID 10923034
(E)-3-methylundec-4-en-1-ol
CID 121006781

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyltridec-7-ene-2,4-diol?
The IUPAC name of 3-ethyl-6-methyltridec-7-ene-2,4-diol (CID 175158260) is 3-ethyl-6-methyltridec-7-ene-2,4-diol.
What is the SMILES notation for 3-ethyl-6-methyltridec-7-ene-2,4-diol?
The canonical SMILES for 3-ethyl-6-methyltridec-7-ene-2,4-diol is CCCCCC=CC(C)CC(O)C(CC)C(C)O.
What is the InChIKey of 3-ethyl-6-methyltridec-7-ene-2,4-diol?
The InChIKey is XPJMDJAYQFODPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-5-7-8-9-10-11-13(3)12-16(18)15(6-2)14(4)17/h10-11,13-18H,5-9,12H2,1-4H3.
What are the key properties of 3-ethyl-6-methyltridec-7-ene-2,4-diol?
3-ethyl-6-methyltridec-7-ene-2,4-diol has a molecular weight of 256.43 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyltridec-7-ene-2,4-diol is sourced from PubChem (CID 175158260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).