ethane;3-heptylundecan-2-ol

C20H44O — CID 165399351

IUPACethane;3-heptylundecan-2-ol
SMILESCC.CCCCCCCCC(CCCCCCC)C(C)O
InChIInChI=1S/C18H38O.C2H6/c1-4-6-8-10-12-14-16-18(17(3)19)15-13-11-9-7-5-2;1-2/h17-19H,4-16H2,1-3H3;1-2H3
InChIKeyOFFNEHWHWUZYDC-UHFFFAOYSA-N
MW300.57 g/mol
LogP7.12
Rot. Bonds14

About ethane;3-heptylundecan-2-ol

ethane;3-heptylundecan-2-ol (PubChem CID 165399351) has the molecular formula C20H44O and a molecular weight of 300.57 g/mol. Its IUPAC name is ethane;3-heptylundecan-2-ol.

Molecular Properties

Compound Nameethane;3-heptylundecan-2-ol
PubChem CID165399351
Molecular FormulaC20H44O
Molecular Weight300.57 g/mol
Exact Mass300.34
IUPAC Nameethane;3-heptylundecan-2-ol
SMILESCC.CCCCCCCCC(CCCCCCC)C(C)O
InChIInChI=1S/C18H38O.C2H6/c1-4-6-8-10-12-14-16-18(17(3)19)15-13-11-9-7-5-2;1-2/h17-19H,4-16H2,1-3H3;1-2H3
InChIKeyOFFNEHWHWUZYDC-UHFFFAOYSA-N
XLogP7.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.57
LogP ≤ 57.12
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

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CID 86675568
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7,8-dihexylicosane
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(2R,3S)-dodecane-2,3-diol
CID 163394646
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
9-(1-hydroxyethyl)tetradecan-7-one
CID 123266211
3-prop-2-enyloctan-2-ol
CID 174661731
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
8-propan-2-ylpentadecane
CID 153475308
heptane;heptan-2-ol
CID 157400640

Frequently Asked Questions

What is the IUPAC name of ethane;3-heptylundecan-2-ol?
The IUPAC name of ethane;3-heptylundecan-2-ol (CID 165399351) is ethane;3-heptylundecan-2-ol.
What is the SMILES notation for ethane;3-heptylundecan-2-ol?
The canonical SMILES for ethane;3-heptylundecan-2-ol is CC.CCCCCCCCC(CCCCCCC)C(C)O.
What is the InChIKey of ethane;3-heptylundecan-2-ol?
The InChIKey is OFFNEHWHWUZYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O.C2H6/c1-4-6-8-10-12-14-16-18(17(3)19)15-13-11-9-7-5-2;1-2/h17-19H,4-16H2,1-3H3;1-2H3.
What are the key properties of ethane;3-heptylundecan-2-ol?
ethane;3-heptylundecan-2-ol has a molecular weight of 300.57 g/mol, XLogP of 7.12, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-heptylundecan-2-ol is sourced from PubChem (CID 165399351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).