1-undecoxybutan-1-ol

C15H32O2 — CID 139971924

IUPAC1-undecoxybutan-1-ol
SMILESCCCCCCCCCCCOC(O)CCC
InChIInChI=1S/C15H32O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h15-16H,3-14H2,1-2H3
InChIKeySRPWNIQKKFRALT-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.65
Rot. Bonds13

About 1-undecoxybutan-1-ol

1-undecoxybutan-1-ol (PubChem CID 139971924) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-undecoxybutan-1-ol.

Molecular Properties

Compound Name1-undecoxybutan-1-ol
PubChem CID139971924
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name1-undecoxybutan-1-ol
SMILESCCCCCCCCCCCOC(O)CCC
InChIInChI=1S/C15H32O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h15-16H,3-14H2,1-2H3
InChIKeySRPWNIQKKFRALT-UHFFFAOYSA-N
XLogP4.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.65
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-(4-hexoxybutoxy)butan-1-ol
CID 141002472
1-icosoxybutane-1,4-diol
CID 175387447
1-dodecoxy-3-sulfanylpropan-1-ol
CID 170259722
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
3-chloro-1-pentoxypropan-1-ol
CID 174943404
1-(2-heptadecoxyethoxy)hexadecan-1-ol
CID 164522855
3-amino-1-pentoxypropan-1-ol;pentan-1-amine
CID 88847262
icosoxymethanediol
CID 175975847
1-butoxyoctane-1,8-diol
CID 87774765
4-amino-4-(aminomethyl)-1,7-didodecoxyheptane-1,7-diol
CID 175410347
N-ethyl-N,3-dihydroxy-3-tridecoxypropan-1-amine oxide
CID 88732216

Frequently Asked Questions

What is the IUPAC name of 1-undecoxybutan-1-ol?
The IUPAC name of 1-undecoxybutan-1-ol (CID 139971924) is 1-undecoxybutan-1-ol.
What is the SMILES notation for 1-undecoxybutan-1-ol?
The canonical SMILES for 1-undecoxybutan-1-ol is CCCCCCCCCCCOC(O)CCC.
What is the InChIKey of 1-undecoxybutan-1-ol?
The InChIKey is SRPWNIQKKFRALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-undecoxybutan-1-ol?
1-undecoxybutan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 4.65, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecoxybutan-1-ol is sourced from PubChem (CID 139971924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).