1-undecoxypropan-1-ol

C14H30O2 — CID 139971923

IUPAC1-undecoxypropan-1-ol
SMILESCCCCCCCCCCCOC(O)CC
InChIInChI=1S/C14H30O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h14-15H,3-13H2,1-2H3
InChIKeySTDGABUFHXPRPZ-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.26
Rot. Bonds12

About 1-undecoxypropan-1-ol

1-undecoxypropan-1-ol (PubChem CID 139971923) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-undecoxypropan-1-ol.

Molecular Properties

Compound Name1-undecoxypropan-1-ol
PubChem CID139971923
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name1-undecoxypropan-1-ol
SMILESCCCCCCCCCCCOC(O)CC
InChIInChI=1S/C14H30O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h14-15H,3-13H2,1-2H3
InChIKeySTDGABUFHXPRPZ-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptoxypropan-1-ol
CID 19598529
1-undecoxybutan-1-ol
CID 139971924
1-butoxyethanol;1-butoxypropan-1-ol
CID 161420365
6-(1-hydroxypropoxy)hexane-1,1-diol
CID 59547424
1-(1-hexadecoxypropoxy)propan-1-ol
CID 21317072
icosoxymethanediol
CID 175975847
1-(4-hexoxybutoxy)butan-1-ol
CID 141002472
1-icosoxybutane-1,4-diol
CID 175387447
1-dodecoxy-3-sulfanylpropan-1-ol
CID 170259722
1-heptacontoxyethanol
CID 169098461
1-propoxypropan-1-ol;hydrate
CID 174406445
2-dodecoxy-2-hydroxyethanesulfonic acid
CID 141033814

Frequently Asked Questions

What is the IUPAC name of 1-undecoxypropan-1-ol?
The IUPAC name of 1-undecoxypropan-1-ol (CID 139971923) is 1-undecoxypropan-1-ol.
What is the SMILES notation for 1-undecoxypropan-1-ol?
The canonical SMILES for 1-undecoxypropan-1-ol is CCCCCCCCCCCOC(O)CC.
What is the InChIKey of 1-undecoxypropan-1-ol?
The InChIKey is STDGABUFHXPRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-undecoxypropan-1-ol?
1-undecoxypropan-1-ol has a molecular weight of 230.39 g/mol, XLogP of 4.26, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecoxypropan-1-ol is sourced from PubChem (CID 139971923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).