7-(2-methylhexoxy)heptan-1-ol

C14H30O2 — CID 134975583

IUPAC7-(2-methylhexoxy)heptan-1-ol
SMILESCCCCC(C)COCCCCCCCO
InChIInChI=1S/C14H30O2/c1-3-4-10-14(2)13-16-12-9-7-5-6-8-11-15/h14-15H,3-13H2,1-2H3
InChIKeySFGKCKOLIUOLMB-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.77
Rot. Bonds12

About 7-(2-methylhexoxy)heptan-1-ol

7-(2-methylhexoxy)heptan-1-ol (PubChem CID 134975583) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 7-(2-methylhexoxy)heptan-1-ol.

Molecular Properties

Compound Name7-(2-methylhexoxy)heptan-1-ol
PubChem CID134975583
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name7-(2-methylhexoxy)heptan-1-ol
SMILESCCCCC(C)COCCCCCCCO
InChIInChI=1S/C14H30O2/c1-3-4-10-14(2)13-16-12-9-7-5-6-8-11-15/h14-15H,3-13H2,1-2H3
InChIKeySFGKCKOLIUOLMB-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylhexoxy)heptan-1-ol?
The IUPAC name of 7-(2-methylhexoxy)heptan-1-ol (CID 134975583) is 7-(2-methylhexoxy)heptan-1-ol.
What is the SMILES notation for 7-(2-methylhexoxy)heptan-1-ol?
The canonical SMILES for 7-(2-methylhexoxy)heptan-1-ol is CCCCC(C)COCCCCCCCO.
What is the InChIKey of 7-(2-methylhexoxy)heptan-1-ol?
The InChIKey is SFGKCKOLIUOLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-3-4-10-14(2)13-16-12-9-7-5-6-8-11-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 7-(2-methylhexoxy)heptan-1-ol?
7-(2-methylhexoxy)heptan-1-ol has a molecular weight of 230.39 g/mol, XLogP of 3.77, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylhexoxy)heptan-1-ol is sourced from PubChem (CID 134975583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).