(3R)-10-methylundecan-3-ol

C12H26O — CID 164999222

IUPAC(3R)-10-methylundecan-3-ol
SMILESCC[C@@H](O)CCCCCCC(C)C
InChIInChI=1S/C12H26O/c1-4-12(13)10-8-6-5-7-9-11(2)3/h11-13H,4-10H2,1-3H3/t12-/m1/s1
InChIKeySAYHQYMGCPVELF-GFCCVEGCSA-N
MW186.34 g/mol
LogP3.75
Rot. Bonds8

About (3R)-10-methylundecan-3-ol

(3R)-10-methylundecan-3-ol (PubChem CID 164999222) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is (3R)-10-methylundecan-3-ol.

Molecular Properties

Compound Name(3R)-10-methylundecan-3-ol
PubChem CID164999222
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name(3R)-10-methylundecan-3-ol
SMILESCC[C@@H](O)CCCCCCC(C)C
InChIInChI=1S/C12H26O/c1-4-12(13)10-8-6-5-7-9-11(2)3/h11-13H,4-10H2,1-3H3/t12-/m1/s1
InChIKeySAYHQYMGCPVELF-GFCCVEGCSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.75
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
nonane-3,7-diol
CID 22141483
icosane-3,10-diol
CID 141217833
decane-1,8-diol
CID 160857478
undecane-1,9-diol
CID 56629636
(2S)-24-methylpentacosane-1,2-diol
CID 162845743
icosane-1,18-diol
CID 87114916
octane-1,6-diol
CID 159745348
decane-1,2,8-triol
CID 88722169
dodecan-3-ol;propane
CID 159624658
9-sulfanylnonan-3-ol
CID 91250076
17-methyloctadecane-1,11-diol
CID 91311361

Frequently Asked Questions

What is the IUPAC name of (3R)-10-methylundecan-3-ol?
The IUPAC name of (3R)-10-methylundecan-3-ol (CID 164999222) is (3R)-10-methylundecan-3-ol.
What is the SMILES notation for (3R)-10-methylundecan-3-ol?
The canonical SMILES for (3R)-10-methylundecan-3-ol is CC[C@@H](O)CCCCCCC(C)C.
What is the InChIKey of (3R)-10-methylundecan-3-ol?
The InChIKey is SAYHQYMGCPVELF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26O/c1-4-12(13)10-8-6-5-7-9-11(2)3/h11-13H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-10-methylundecan-3-ol?
(3R)-10-methylundecan-3-ol has a molecular weight of 186.34 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-10-methylundecan-3-ol is sourced from PubChem (CID 164999222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).