6-Ethoxy-3,7-dimethyloct-7-en-1-ol

C12H24O2 — CID 53738936

IUPAC6-ethoxy-3,7-dimethyloct-7-en-1-ol
SMILESCCOC(CCC(C)CCO)C(=C)C
InChIInChI=1S/C12H24O2/c1-5-14-12(10(2)3)7-6-11(4)8-9-13/h11-13H,2,5-9H2,1,3-4H3
InChIKeyCTENIPSAJGEQAA-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.90
Rot. Bonds8

About 6-Ethoxy-3,7-dimethyloct-7-en-1-ol

6-Ethoxy-3,7-dimethyloct-7-en-1-ol (PubChem CID 53738936) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 6-ethoxy-3,7-dimethyloct-7-en-1-ol.

Molecular Properties

Compound Name6-Ethoxy-3,7-dimethyloct-7-en-1-ol
PubChem CID53738936
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name6-ethoxy-3,7-dimethyloct-7-en-1-ol
SMILESCCOC(CCC(C)CCO)C(=C)C
InChIInChI=1S/C12H24O2/c1-5-14-12(10(2)3)7-6-11(4)8-9-13/h11-13H,2,5-9H2,1,3-4H3
InChIKeyCTENIPSAJGEQAA-UHFFFAOYSA-N
XLogP2.90
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity154

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Octene-1,6-diol, 3,7-dimethyl-
CID 90790
2,10-Dimethyl-6-methylene-1,4-dodecanediol
CID 131753009
7-Octen-1-ol, 6-hydroperoxy-3,7-dimethyl-
CID 11171459
3,7-Dimethyl-7-octen-2-ol
CID 15559111
(1S)-2-(5-methoxy-3-methylidenepentyl)-7-methylidenecycloheptan-1-ol
CID 393400
6,7-Dimethyloct-7-en-2-ol
CID 20287632
2,6,8-Trimethylnon-8-en-3-ol
CID 21455540
5,9-Dimethyl-9-decen-3-ol
CID 535090
(2S,3R,4S,5R)-3,5-dimethyl-6-methylideneoctane-2,4-diol
CID 16043651
3,7-Dimethyloct-7-ene-2,6-diol
CID 90936137
[(2R,3S,4S)-2-ethenyl-4-pentyloxetan-3-yl]methanol
CID 101718399
[2-2-Hydroxypropyl]-6-methyl-1-decene
CID 129724109

Frequently Asked Questions

What is the IUPAC name of 6-Ethoxy-3,7-dimethyloct-7-en-1-ol?
The IUPAC name of 6-Ethoxy-3,7-dimethyloct-7-en-1-ol (CID 53738936) is 6-ethoxy-3,7-dimethyloct-7-en-1-ol.
What is the SMILES notation for 6-Ethoxy-3,7-dimethyloct-7-en-1-ol?
The canonical SMILES for 6-Ethoxy-3,7-dimethyloct-7-en-1-ol is CCOC(CCC(C)CCO)C(=C)C.
What is the InChIKey of 6-Ethoxy-3,7-dimethyloct-7-en-1-ol?
The InChIKey is CTENIPSAJGEQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-14-12(10(2)3)7-6-11(4)8-9-13/h11-13H,2,5-9H2,1,3-4H3.
What are the key properties of 6-Ethoxy-3,7-dimethyloct-7-en-1-ol?
6-Ethoxy-3,7-dimethyloct-7-en-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Ethoxy-3,7-dimethyloct-7-en-1-ol is sourced from PubChem (CID 53738936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).