(3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol

C16H30O2 — CID 10015198

IUPAC(3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol
SMILESC=C[C@H](CC[C@H](C=C)[C@H](O)C(C)C)[C@@H](O)C(C)C
InChIInChI=1S/C16H30O2/c1-7-13(15(17)11(3)4)9-10-14(8-2)16(18)12(5)6/h7-8,11-18H,1-2,9-10H2,3-6H3/t13-,14+,15+,16-
InChIKeyCKHCFFDZMFRHJE-SYMSYNOKSA-N
MW254.41 g/mol
LogP3.40
Rot. Bonds9

About (3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol

(3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol (PubChem CID 10015198) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol.

Molecular Properties

Compound Name(3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol
PubChem CID10015198
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol
SMILESC=C[C@H](CC[C@H](C=C)[C@H](O)C(C)C)[C@@H](O)C(C)C
InChIInChI=1S/C16H30O2/c1-7-13(15(17)11(3)4)9-10-14(8-2)16(18)12(5)6/h7-8,11-18H,1-2,9-10H2,3-6H3/t13-,14+,15+,16-
InChIKeyCKHCFFDZMFRHJE-SYMSYNOKSA-N
XLogP3.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.40
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 (3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol?
The IUPAC name of (3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol (CID 10015198) is (3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol.
What is the SMILES notation for (3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol?
The canonical SMILES for (3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol is C=C[C@H](CC[C@H](C=C)[C@H](O)C(C)C)[C@@H](O)C(C)C.
What is the InChIKey of (3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol?
The InChIKey is CKHCFFDZMFRHJE-SYMSYNOKSA-N. The full InChI is InChI=1S/C16H30O2/c1-7-13(15(17)11(3)4)9-10-14(8-2)16(18)12(5)6/h7-8,11-18H,1-2,9-10H2,3-6H3/t13-,14+,15+,16-.
What are the key properties of (3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol?
(3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol has a molecular weight of 254.41 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol is sourced from PubChem (CID 10015198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).