(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one

C14H26O4 — CID 162965017

IUPAC(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one
SMILESCCCCCCCCCC1C[C@@H](O)[C@@H](O)C(=O)O1
InChIInChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-11-10-12(15)13(16)14(17)18-11/h11-13,15-16H,2-10H2,1H3/t11?,12-,13-/m1/s1
InChIKeyMCPAMOWRMOWQKU-VFRRUGBOSA-N
MW258.36 g/mol
LogP2.16
Rot. Bonds8

About (3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one

(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one (PubChem CID 162965017) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one.

Molecular Properties

Compound Name(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one
PubChem CID162965017
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one
SMILESCCCCCCCCCC1C[C@@H](O)[C@@H](O)C(=O)O1
InChIInChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-11-10-12(15)13(16)14(17)18-11/h11-13,15-16H,2-10H2,1H3/t11?,12-,13-/m1/s1
InChIKeyMCPAMOWRMOWQKU-VFRRUGBOSA-N
XLogP2.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hexyl-4-hydroxy-6-undecyloxan-2-one
CID 10665857
5-hexyl-3-hydroxyoxolan-2-one
CID 14303265
3-chloro-5-octyloxolan-2-one
CID 3017732
(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one
CID 162927277
2-oxo-5-pentyloxolane-3-carboxylic acid
CID 131751115
(2R,4S,5S,8S)-4,5,8-trihydroxy-2-nonyl-2,3,4,5,8,9-hexahydrooxecin-10-one
CID 177478080
(3S,5S)-3-phenyl-5-tridecyloxolan-2-one
CID 10860874
3,4-dihydroxy-5-tricosyloxolan-2-one
CID 78384597
4-dodecyloxetan-2-one
CID 90110174
5-hydroxy-3-undecyloxolan-2-one
CID 10199009
[(3R,4R,6S)-3-hexyl-2-oxo-6-undecyloxan-4-yl] acetate
CID 11090576
(3S)-3-amino-5-butyloxolan-2-one
CID 23562305

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one?
The IUPAC name of (3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one (CID 162965017) is (3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one.
What is the SMILES notation for (3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one?
The canonical SMILES for (3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one is CCCCCCCCCC1C[C@@H](O)[C@@H](O)C(=O)O1.
What is the InChIKey of (3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one?
The InChIKey is MCPAMOWRMOWQKU-VFRRUGBOSA-N. The full InChI is InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-11-10-12(15)13(16)14(17)18-11/h11-13,15-16H,2-10H2,1H3/t11?,12-,13-/m1/s1.
What are the key properties of (3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one?
(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one is sourced from PubChem (CID 162965017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).