(3S,5S)-2-methylundecane-3,5-diol

C12H26O2 — CID 14784007

IUPAC(3S,5S)-2-methylundecane-3,5-diol
SMILESCCCCCC[C@H](O)C[C@H](O)C(C)C
InChIInChI=1S/C12H26O2/c1-4-5-6-7-8-11(13)9-12(14)10(2)3/h10-14H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyKAJNXNKGFQLNGH-RYUDHWBXSA-N
MW202.34 g/mol
LogP2.72
Rot. Bonds8

About (3S,5S)-2-methylundecane-3,5-diol

(3S,5S)-2-methylundecane-3,5-diol (PubChem CID 14784007) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is (3S,5S)-2-methylundecane-3,5-diol.

Molecular Properties

Compound Name(3S,5S)-2-methylundecane-3,5-diol
PubChem CID14784007
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name(3S,5S)-2-methylundecane-3,5-diol
SMILESCCCCCC[C@H](O)C[C@H](O)C(C)C
InChIInChI=1S/C12H26O2/c1-4-5-6-7-8-11(13)9-12(14)10(2)3/h10-14H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyKAJNXNKGFQLNGH-RYUDHWBXSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7R,8S,10S)-nonacosane-7,8,10-triol
CID 163189131
hentriacontane-14,16-diol
CID 87514654
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
(6S,8S)-heptacosane-6,8-diol
CID 10693038
(2R,4R)-decane-2,4-diol
CID 16752205
(4S)-2-methylnonan-4-ol
CID 86308805
(5S,7R)-dodecane-5,7-diol
CID 12060471
3-methyltridecan-5-ol
CID 13025106
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2-methylundecane-3,5-diol?
The IUPAC name of (3S,5S)-2-methylundecane-3,5-diol (CID 14784007) is (3S,5S)-2-methylundecane-3,5-diol.
What is the SMILES notation for (3S,5S)-2-methylundecane-3,5-diol?
The canonical SMILES for (3S,5S)-2-methylundecane-3,5-diol is CCCCCC[C@H](O)C[C@H](O)C(C)C.
What is the InChIKey of (3S,5S)-2-methylundecane-3,5-diol?
The InChIKey is KAJNXNKGFQLNGH-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-5-6-7-8-11(13)9-12(14)10(2)3/h10-14H,4-9H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (3S,5S)-2-methylundecane-3,5-diol?
(3S,5S)-2-methylundecane-3,5-diol has a molecular weight of 202.34 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2-methylundecane-3,5-diol is sourced from PubChem (CID 14784007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).