CID 102011532

C19H29O2 — CID 102011532

IUPAC—
SMILES[CH2][C@@H]1C[C@H](CCCCCCCC)O[C@H](c2ccccc2)O1
InChIInChI=1S/C19H29O2/c1-3-4-5-6-7-11-14-18-15-16(2)20-19(21-18)17-12-9-8-10-13-17/h8-10,12-13,16,18-19H,2-7,11,14-15H2,1H3/t16-,18+,19-/m1/s1
InChIKeyRVJDGHWHCVYKQM-NZSAHSFTSA-N
MW289.44 g/mol
LogP5.44
Rot. Bonds8

About CID 102011532

CID 102011532 (PubChem CID 102011532) has the molecular formula C19H29O2 and a molecular weight of 289.44 g/mol.

Molecular Properties

Compound NameCID 102011532
PubChem CID102011532
Molecular FormulaC19H29O2
Molecular Weight289.44 g/mol
Exact Mass289.22
IUPAC Name—
SMILES[CH2][C@@H]1C[C@H](CCCCCCCC)O[C@H](c2ccccc2)O1
InChIInChI=1S/C19H29O2/c1-3-4-5-6-7-11-14-18-15-16(2)20-19(21-18)17-12-9-8-10-13-17/h8-10,12-13,16,18-19H,2-7,11,14-15H2,1H3/t16-,18+,19-/m1/s1
InChIKeyRVJDGHWHCVYKQM-NZSAHSFTSA-N
XLogP5.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-1-[(2S,4S,6S)-6-[[(2R,4R,6R)-6-heptyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]pent-4-en-2-ol
CID 56849902
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(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
CID 11002237
2-butyl-4-chloro-6-phenyloxane
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5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
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[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane
CID 70507208
(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine
CID 11034663
(4S)-4-(hexadecoxymethyl)-2-phenyl-1,3-dioxane
CID 11475618

Frequently Asked Questions

What is the IUPAC name of CID 102011532?
The IUPAC name of CID 102011532 (CID 102011532) is not available.
What is the SMILES notation for CID 102011532?
The canonical SMILES for CID 102011532 is [CH2][C@@H]1C[C@H](CCCCCCCC)O[C@H](c2ccccc2)O1.
What is the InChIKey of CID 102011532?
The InChIKey is RVJDGHWHCVYKQM-NZSAHSFTSA-N. The full InChI is InChI=1S/C19H29O2/c1-3-4-5-6-7-11-14-18-15-16(2)20-19(21-18)17-12-9-8-10-13-17/h8-10,12-13,16,18-19H,2-7,11,14-15H2,1H3/t16-,18+,19-/m1/s1.
What are the key properties of CID 102011532?
CID 102011532 has a molecular weight of 289.44 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102011532 is sourced from PubChem (CID 102011532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).