(E)-5,8-dimethyldodec-6-ene-5,8-diol

C14H28O2 — CID 22223420

IUPAC(E)-5,8-dimethyldodec-6-ene-5,8-diol
SMILESCCCCC(C)(O)/C=C/C(C)(O)CCCC
InChIInChI=1S/C14H28O2/c1-5-7-9-13(3,15)11-12-14(4,16)10-8-6-2/h11-12,15-16H,5-10H2,1-4H3/b12-11+
InChIKeyYIYGRCCOXKICMN-VAWYXSNFSA-N
MW228.38 g/mol
LogP3.42
Rot. Bonds8

About (E)-5,8-dimethyldodec-6-ene-5,8-diol

(E)-5,8-dimethyldodec-6-ene-5,8-diol (PubChem CID 22223420) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (E)-5,8-dimethyldodec-6-ene-5,8-diol.

Molecular Properties

Compound Name(E)-5,8-dimethyldodec-6-ene-5,8-diol
PubChem CID22223420
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(E)-5,8-dimethyldodec-6-ene-5,8-diol
SMILESCCCCC(C)(O)/C=C/C(C)(O)CCCC
InChIInChI=1S/C14H28O2/c1-5-7-9-13(3,15)11-12-14(4,16)10-8-6-2/h11-12,15-16H,5-10H2,1-4H3/b12-11+
InChIKeyYIYGRCCOXKICMN-VAWYXSNFSA-N
XLogP3.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2,2-dimethylhexane
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Frequently Asked Questions

What is the IUPAC name of (E)-5,8-dimethyldodec-6-ene-5,8-diol?
The IUPAC name of (E)-5,8-dimethyldodec-6-ene-5,8-diol (CID 22223420) is (E)-5,8-dimethyldodec-6-ene-5,8-diol.
What is the SMILES notation for (E)-5,8-dimethyldodec-6-ene-5,8-diol?
The canonical SMILES for (E)-5,8-dimethyldodec-6-ene-5,8-diol is CCCCC(C)(O)/C=C/C(C)(O)CCCC.
What is the InChIKey of (E)-5,8-dimethyldodec-6-ene-5,8-diol?
The InChIKey is YIYGRCCOXKICMN-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-7-9-13(3,15)11-12-14(4,16)10-8-6-2/h11-12,15-16H,5-10H2,1-4H3/b12-11+.
What are the key properties of (E)-5,8-dimethyldodec-6-ene-5,8-diol?
(E)-5,8-dimethyldodec-6-ene-5,8-diol has a molecular weight of 228.38 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,8-dimethyldodec-6-ene-5,8-diol is sourced from PubChem (CID 22223420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).