(5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol

C20H38O — CID 129194196

IUPAC(5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol
SMILESCC(C)=CCC[C@@H](C)CCC(CO)[C@H](C)CCC=C(C)C
InChIInChI=1S/C20H38O/c1-16(2)9-7-11-18(5)13-14-20(15-21)19(6)12-8-10-17(3)4/h9-10,18-21H,7-8,11-15H2,1-6H3/t18-,19-,20?/m1/s1
InChIKeyKRWLLHKGGLXETG-LEAGNCFPSA-N
MW294.52 g/mol
LogP6.14
Rot. Bonds11

About (5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol

(5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol (PubChem CID 129194196) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is (5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol.

Molecular Properties

Compound Name(5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol
PubChem CID129194196
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name(5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol
SMILESCC(C)=CCC[C@@H](C)CCC(CO)[C@H](C)CCC=C(C)C
InChIInChI=1S/C20H38O/c1-16(2)9-7-11-18(5)13-14-20(15-21)19(6)12-8-10-17(3)4/h9-10,18-21H,7-8,11-15H2,1-6H3/t18-,19-,20?/m1/s1
InChIKeyKRWLLHKGGLXETG-LEAGNCFPSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol with MolForge

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Related Compounds

(2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 124706434
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
5,9-dimethyldeca-1,8-diene
CID 12578605
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
CID 173125400
CID 173125400
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
2,6,10-trimethyltridec-2-en-7-ol
CID 88508201
2,6,10-trimethylundec-2-ene
CID 14805750
3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
CID 174687264
(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene
CID 134982878
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
(6S)-2,6-dimethyl-8-methylselanyloct-2-ene
CID 101158479

Frequently Asked Questions

What is the IUPAC name of (5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol?
The IUPAC name of (5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol (CID 129194196) is (5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol.
What is the SMILES notation for (5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol?
The canonical SMILES for (5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol is CC(C)=CCC[C@@H](C)CCC(CO)[C@H](C)CCC=C(C)C.
What is the InChIKey of (5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol?
The InChIKey is KRWLLHKGGLXETG-LEAGNCFPSA-N. The full InChI is InChI=1S/C20H38O/c1-16(2)9-7-11-18(5)13-14-20(15-21)19(6)12-8-10-17(3)4/h9-10,18-21H,7-8,11-15H2,1-6H3/t18-,19-,20?/m1/s1.
What are the key properties of (5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol?
(5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol has a molecular weight of 294.52 g/mol, XLogP of 6.14, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol is sourced from PubChem (CID 129194196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).