(5S,7R)-dodecane-5,7-diol

C12H26O2 — CID 12060471

IUPAC(5S,7R)-dodecane-5,7-diol
SMILESCCCCC[C@@H](O)C[C@@H](O)CCCC
InChIInChI=1S/C12H26O2/c1-3-5-7-9-12(14)10-11(13)8-6-4-2/h11-14H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyPPVPTVZMHBBRHN-NWDGAFQWSA-N
MW202.34 g/mol
LogP2.87
Rot. Bonds9

About (5S,7R)-dodecane-5,7-diol

(5S,7R)-dodecane-5,7-diol (PubChem CID 12060471) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is (5S,7R)-dodecane-5,7-diol.

Molecular Properties

Compound Name(5S,7R)-dodecane-5,7-diol
PubChem CID12060471
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name(5S,7R)-dodecane-5,7-diol
SMILESCCCCC[C@@H](O)C[C@@H](O)CCCC
InChIInChI=1S/C12H26O2/c1-3-5-7-9-12(14)10-11(13)8-6-4-2/h11-14H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyPPVPTVZMHBBRHN-NWDGAFQWSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.87
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

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
(5R,7S)-undecane-5,7-diol
CID 10899409
decane-4,6-diol;scandium
CID 164810305
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579
(4S)-2-methylnonan-4-ol
CID 86308805
nonane-3,5-diol;scandium
CID 164810293

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-dodecane-5,7-diol?
The IUPAC name of (5S,7R)-dodecane-5,7-diol (CID 12060471) is (5S,7R)-dodecane-5,7-diol.
What is the SMILES notation for (5S,7R)-dodecane-5,7-diol?
The canonical SMILES for (5S,7R)-dodecane-5,7-diol is CCCCC[C@@H](O)C[C@@H](O)CCCC.
What is the InChIKey of (5S,7R)-dodecane-5,7-diol?
The InChIKey is PPVPTVZMHBBRHN-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H26O2/c1-3-5-7-9-12(14)10-11(13)8-6-4-2/h11-14H,3-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (5S,7R)-dodecane-5,7-diol?
(5S,7R)-dodecane-5,7-diol has a molecular weight of 202.34 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-dodecane-5,7-diol is sourced from PubChem (CID 12060471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).