hexan-1-ol;1-methoxypropan-2-ol

C10H24O3 — CID 87087697

IUPAChexan-1-ol;1-methoxypropan-2-ol
SMILESCCCCCCO.COCC(C)O
InChIInChI=1S/C6H14O.C4H10O2/c1-2-3-4-5-6-7;1-4(5)3-6-2/h7H,2-6H2,1H3;4-5H,3H2,1-2H3
InChIKeyKLNHCPSUUVGVSJ-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.57
Rot. Bonds6

About hexan-1-ol;1-methoxypropan-2-ol

hexan-1-ol;1-methoxypropan-2-ol (PubChem CID 87087697) has the molecular formula C10H24O3 and a molecular weight of 192.30 g/mol. Its IUPAC name is hexan-1-ol;1-methoxypropan-2-ol.

Molecular Properties

Compound Namehexan-1-ol;1-methoxypropan-2-ol
PubChem CID87087697
Molecular FormulaC10H24O3
Molecular Weight192.30 g/mol
Exact Mass192.17
IUPAC Namehexan-1-ol;1-methoxypropan-2-ol
SMILESCCCCCCO.COCC(C)O
InChIInChI=1S/C6H14O.C4H10O2/c1-2-3-4-5-6-7;1-4(5)3-6-2/h7H,2-6H2,1H3;4-5H,3H2,1-2H3
InChIKeyKLNHCPSUUVGVSJ-UHFFFAOYSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecan-1-ol;methoxyethane
CID 174401185
1-methoxypropan-2-ol;propane
CID 159966080
hexan-1-ol;2-methylpropane
CID 159802705
5-(2-hydroxypropoxy)pentan-1-ol
CID 14473456
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-methoxypropan-2-ol chloride
CID 23303898
heptan-1-ol;nonan-1-ol
CID 160785033
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptatriacontan-1-ol
CID 537071

Frequently Asked Questions

What is the IUPAC name of hexan-1-ol;1-methoxypropan-2-ol?
The IUPAC name of hexan-1-ol;1-methoxypropan-2-ol (CID 87087697) is hexan-1-ol;1-methoxypropan-2-ol.
What is the SMILES notation for hexan-1-ol;1-methoxypropan-2-ol?
The canonical SMILES for hexan-1-ol;1-methoxypropan-2-ol is CCCCCCO.COCC(C)O.
What is the InChIKey of hexan-1-ol;1-methoxypropan-2-ol?
The InChIKey is KLNHCPSUUVGVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C4H10O2/c1-2-3-4-5-6-7;1-4(5)3-6-2/h7H,2-6H2,1H3;4-5H,3H2,1-2H3.
What are the key properties of hexan-1-ol;1-methoxypropan-2-ol?
hexan-1-ol;1-methoxypropan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-ol;1-methoxypropan-2-ol is sourced from PubChem (CID 87087697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).