dodecan-3-ol;propane

C15H34O — CID 159624658

IUPACdodecan-3-ol;propane
SMILESCCC.CCCCCCCCCC(O)CC
InChIInChI=1S/C12H26O.C3H8/c1-3-5-6-7-8-9-10-11-12(13)4-2;1-3-2/h12-13H,3-11H2,1-2H3;3H2,1-2H3
InChIKeyMOIGYMYPOIFTPX-UHFFFAOYSA-N
MW230.44 g/mol
LogP5.31
Rot. Bonds9

About dodecan-3-ol;propane

dodecan-3-ol;propane (PubChem CID 159624658) has the molecular formula C15H34O and a molecular weight of 230.44 g/mol. Its IUPAC name is dodecan-3-ol;propane.

Molecular Properties

Compound Namedodecan-3-ol;propane
PubChem CID159624658
Molecular FormulaC15H34O
Molecular Weight230.44 g/mol
Exact Mass230.26
IUPAC Namedodecan-3-ol;propane
SMILESCCC.CCCCCCCCCC(O)CC
InChIInChI=1S/C12H26O.C3H8/c1-3-5-6-7-8-9-10-11-12(13)4-2;1-3-2/h12-13H,3-11H2,1-2H3;3H2,1-2H3
InChIKeyMOIGYMYPOIFTPX-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

icosan-3-ol
CID 14940768
icosane-3,10-diol
CID 141217833
CID 175329168
CID 175329168
decane-3,7-diol;decan-4-ol;nonan-4-ol
CID 159957701
octan-3-ol;propan-2-ol;silane
CID 174446163
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of dodecan-3-ol;propane?
The IUPAC name of dodecan-3-ol;propane (CID 159624658) is dodecan-3-ol;propane.
What is the SMILES notation for dodecan-3-ol;propane?
The canonical SMILES for dodecan-3-ol;propane is CCC.CCCCCCCCCC(O)CC.
What is the InChIKey of dodecan-3-ol;propane?
The InChIKey is MOIGYMYPOIFTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C3H8/c1-3-5-6-7-8-9-10-11-12(13)4-2;1-3-2/h12-13H,3-11H2,1-2H3;3H2,1-2H3.
What are the key properties of dodecan-3-ol;propane?
dodecan-3-ol;propane has a molecular weight of 230.44 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-3-ol;propane is sourced from PubChem (CID 159624658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).