(E)-2,11-dimethyldodec-6-ene-2,11-diol

C14H28O2 — CID 87994195

IUPAC(E)-2,11-dimethyldodec-6-ene-2,11-diol
SMILESCC(C)(O)CCC/C=C/CCCC(C)(C)O
InChIInChI=1S/C14H28O2/c1-13(2,15)11-9-7-5-6-8-10-12-14(3,4)16/h5-6,15-16H,7-12H2,1-4H3/b6-5+
InChIKeyQQEGSFVMNRXYBZ-AATRIKPKSA-N
MW228.38 g/mol
LogP3.42
Rot. Bonds8

About (E)-2,11-dimethyldodec-6-ene-2,11-diol

(E)-2,11-dimethyldodec-6-ene-2,11-diol (PubChem CID 87994195) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (E)-2,11-dimethyldodec-6-ene-2,11-diol.

Molecular Properties

Compound Name(E)-2,11-dimethyldodec-6-ene-2,11-diol
PubChem CID87994195
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(E)-2,11-dimethyldodec-6-ene-2,11-diol
SMILESCC(C)(O)CCC/C=C/CCCC(C)(C)O
InChIInChI=1S/C14H28O2/c1-13(2,15)11-9-7-5-6-8-10-12-14(3,4)16/h5-6,15-16H,7-12H2,1-4H3/b6-5+
InChIKeyQQEGSFVMNRXYBZ-AATRIKPKSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 143822198
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(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one
CID 14537577
2-methyldodecan-2-ol
CID 547702
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CID 548142
(E)-7-hydroxy-3,7-dimethyloct-2-enoic acid
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2,6-dimethyldec-9-en-2-ol
CID 154162071

Frequently Asked Questions

What is the IUPAC name of (E)-2,11-dimethyldodec-6-ene-2,11-diol?
The IUPAC name of (E)-2,11-dimethyldodec-6-ene-2,11-diol (CID 87994195) is (E)-2,11-dimethyldodec-6-ene-2,11-diol.
What is the SMILES notation for (E)-2,11-dimethyldodec-6-ene-2,11-diol?
The canonical SMILES for (E)-2,11-dimethyldodec-6-ene-2,11-diol is CC(C)(O)CCC/C=C/CCCC(C)(C)O.
What is the InChIKey of (E)-2,11-dimethyldodec-6-ene-2,11-diol?
The InChIKey is QQEGSFVMNRXYBZ-AATRIKPKSA-N. The full InChI is InChI=1S/C14H28O2/c1-13(2,15)11-9-7-5-6-8-10-12-14(3,4)16/h5-6,15-16H,7-12H2,1-4H3/b6-5+.
What are the key properties of (E)-2,11-dimethyldodec-6-ene-2,11-diol?
(E)-2,11-dimethyldodec-6-ene-2,11-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)-2,11-dimethyldodec-6-ene-2,11-diol is sourced from PubChem (CID 87994195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).