1-heptoxypropan-1-ol

C10H22O2 — CID 19598529

IUPAC1-heptoxypropan-1-ol
SMILESCCCCCCCOC(O)CC
InChIInChI=1S/C10H22O2/c1-3-5-6-7-8-9-12-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKeyOYTCWIBDTYOGCL-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.70
Rot. Bonds8

About 1-heptoxypropan-1-ol

1-heptoxypropan-1-ol (PubChem CID 19598529) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-heptoxypropan-1-ol.

Molecular Properties

Compound Name1-heptoxypropan-1-ol
PubChem CID19598529
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-heptoxypropan-1-ol
SMILESCCCCCCCOC(O)CC
InChIInChI=1S/C10H22O2/c1-3-5-6-7-8-9-12-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKeyOYTCWIBDTYOGCL-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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-undecoxypropan-1-ol
CID 139971923
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-heptoxypropan-1-ol?
The IUPAC name of 1-heptoxypropan-1-ol (CID 19598529) is 1-heptoxypropan-1-ol.
What is the SMILES notation for 1-heptoxypropan-1-ol?
The canonical SMILES for 1-heptoxypropan-1-ol is CCCCCCCOC(O)CC.
What is the InChIKey of 1-heptoxypropan-1-ol?
The InChIKey is OYTCWIBDTYOGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-3-5-6-7-8-9-12-10(11)4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-heptoxypropan-1-ol?
1-heptoxypropan-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptoxypropan-1-ol is sourced from PubChem (CID 19598529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).