(3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol

C17H34O — CID 126490264

IUPAC(3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol
SMILESC=C[C@@H](C[C@@H](C(C)O)C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C17H34O/c1-9-14(16(5,6)10-2)12-15(13(4)18)17(7,8)11-3/h9,13-15,18H,1,10-12H2,2-8H3/t13?,14-,15-/m0/s1
InChIKeyMPBZBJLNBATWJP-FGRDXJNISA-N
MW254.46 g/mol
LogP5.05
Rot. Bonds8

About (3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol

(3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol (PubChem CID 126490264) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is (3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol.

Molecular Properties

Compound Name(3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol
PubChem CID126490264
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name(3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol
SMILESC=C[C@@H](C[C@@H](C(C)O)C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C17H34O/c1-9-14(16(5,6)10-2)12-15(13(4)18)17(7,8)11-3/h9,13-15,18H,1,10-12H2,2-8H3/t13?,14-,15-/m0/s1
InChIKeyMPBZBJLNBATWJP-FGRDXJNISA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol?
The IUPAC name of (3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol (CID 126490264) is (3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol.
What is the SMILES notation for (3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol?
The canonical SMILES for (3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol is C=C[C@@H](C[C@@H](C(C)O)C(C)(C)CC)C(C)(C)CC.
What is the InChIKey of (3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol?
The InChIKey is MPBZBJLNBATWJP-FGRDXJNISA-N. The full InChI is InChI=1S/C17H34O/c1-9-14(16(5,6)10-2)12-15(13(4)18)17(7,8)11-3/h9,13-15,18H,1,10-12H2,2-8H3/t13?,14-,15-/m0/s1.
What are the key properties of (3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol?
(3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol has a molecular weight of 254.46 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol is sourced from PubChem (CID 126490264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).