1-(3-methylbutoxy)pentan-1-ol

C10H22O2 — CID 87974594

IUPAC1-(3-methylbutoxy)pentan-1-ol
SMILESCCCCC(O)OCCC(C)C
InChIInChI=1S/C10H22O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyPFZXSXHRGJIZSI-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.56
Rot. Bonds7

About 1-(3-methylbutoxy)pentan-1-ol

1-(3-methylbutoxy)pentan-1-ol (PubChem CID 87974594) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-(3-methylbutoxy)pentan-1-ol.

Molecular Properties

Compound Name1-(3-methylbutoxy)pentan-1-ol
PubChem CID87974594
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-(3-methylbutoxy)pentan-1-ol
SMILESCCCCC(O)OCCC(C)C
InChIInChI=1S/C10H22O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyPFZXSXHRGJIZSI-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-undecoxybutan-1-ol
CID 139971924
1-icosoxybutane-1,4-diol
CID 175387447
1-butoxyoctane-1,8-diol
CID 87774765
3-methylbutoxymethanediol
CID 54490534
2-methyl-1-(3-methylbutoxy)pentan-1-ol
CID 57131480
1-(2-heptadecoxyethoxy)hexadecan-1-ol
CID 164522855
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol
CID 175685028
3-chloro-1-pentoxypropan-1-ol
CID 174943404
1-hexadecoxy-3,7,11,15-tetramethylhexadecan-1-ol
CID 176937133
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutoxy)pentan-1-ol?
The IUPAC name of 1-(3-methylbutoxy)pentan-1-ol (CID 87974594) is 1-(3-methylbutoxy)pentan-1-ol.
What is the SMILES notation for 1-(3-methylbutoxy)pentan-1-ol?
The canonical SMILES for 1-(3-methylbutoxy)pentan-1-ol is CCCCC(O)OCCC(C)C.
What is the InChIKey of 1-(3-methylbutoxy)pentan-1-ol?
The InChIKey is PFZXSXHRGJIZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(3-methylbutoxy)pentan-1-ol?
1-(3-methylbutoxy)pentan-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutoxy)pentan-1-ol is sourced from PubChem (CID 87974594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).