3-(2-methylhexoxy)propan-1-ol

C10H22O2 — CID 134975986

IUPAC3-(2-methylhexoxy)propan-1-ol
SMILESCCCCC(C)COCCCO
InChIInChI=1S/C10H22O2/c1-3-4-6-10(2)9-12-8-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyIWOXHJKNWWFRPJ-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds8

About 3-(2-methylhexoxy)propan-1-ol

3-(2-methylhexoxy)propan-1-ol (PubChem CID 134975986) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-(2-methylhexoxy)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylhexoxy)propan-1-ol
PubChem CID134975986
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-(2-methylhexoxy)propan-1-ol
SMILESCCCCC(C)COCCCO
InChIInChI=1S/C10H22O2/c1-3-4-6-10(2)9-12-8-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyIWOXHJKNWWFRPJ-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
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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Related Compounds

2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol
CID 59203503
1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane
CID 59128190
2-methyl-3-pentoxypropan-1-ol
CID 56616960
2-methyl-3-undecoxypropan-1-ol
CID 138675065
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
3-(14-methylhexadecoxy)propan-1-ol
CID 59379115
butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium
CID 162219945
4-methyloctan-1-ol;propan-2-ol
CID 18620283
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
(2S)-1-butoxy-3-methoxy-2-methylpropane
CID 90383590
3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-thiol
CID 104568101
3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane
CID 159117576

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylhexoxy)propan-1-ol?
The IUPAC name of 3-(2-methylhexoxy)propan-1-ol (CID 134975986) is 3-(2-methylhexoxy)propan-1-ol.
What is the SMILES notation for 3-(2-methylhexoxy)propan-1-ol?
The canonical SMILES for 3-(2-methylhexoxy)propan-1-ol is CCCCC(C)COCCCO.
What is the InChIKey of 3-(2-methylhexoxy)propan-1-ol?
The InChIKey is IWOXHJKNWWFRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-3-4-6-10(2)9-12-8-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-(2-methylhexoxy)propan-1-ol?
3-(2-methylhexoxy)propan-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylhexoxy)propan-1-ol is sourced from PubChem (CID 134975986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).