(2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol

C15H30O2 — CID 162934688

IUPAC(2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol
SMILESC=C(CCC[C@@H](C)CC)C[C@H](O)C[C@H](C)CO
InChIInChI=1S/C15H30O2/c1-5-12(2)7-6-8-13(3)9-15(17)10-14(4)11-16/h12,14-17H,3,5-11H2,1-2,4H3/t12-,14-,15-/m0/s1
InChIKeyVBYQXYSSKALZIL-QEJZJMRPSA-N
MW242.40 g/mol
LogP3.53
Rot. Bonds10

About (2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol

(2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol (PubChem CID 162934688) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol.

Molecular Properties

Compound Name(2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol
PubChem CID162934688
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol
SMILESC=C(CCC[C@@H](C)CC)C[C@H](O)C[C@H](C)CO
InChIInChI=1S/C15H30O2/c1-5-12(2)7-6-8-13(3)9-15(17)10-14(4)11-16/h12,14-17H,3,5-11H2,1-2,4H3/t12-,14-,15-/m0/s1
InChIKeyVBYQXYSSKALZIL-QEJZJMRPSA-N
XLogP3.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol?
The IUPAC name of (2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol (CID 162934688) is (2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol.
What is the SMILES notation for (2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol?
The canonical SMILES for (2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol is C=C(CCC[C@@H](C)CC)C[C@H](O)C[C@H](C)CO.
What is the InChIKey of (2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol?
The InChIKey is VBYQXYSSKALZIL-QEJZJMRPSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-12(2)7-6-8-13(3)9-15(17)10-14(4)11-16/h12,14-17H,3,5-11H2,1-2,4H3/t12-,14-,15-/m0/s1.
What are the key properties of (2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol?
(2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol has a molecular weight of 242.40 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,10S)-2,10-dimethyl-6-methylidenedodecane-1,4-diol is sourced from PubChem (CID 162934688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).