(2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol

C10H18O — CID 90477861

IUPAC(2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol
SMILESCC(C)=CC/C=C(/C)[C@H](C)O
InChIInChI=1S/C10H18O/c1-8(2)6-5-7-9(3)10(4)11/h6-7,10-11H,5H2,1-4H3/b9-7-/t10-/m0/s1
InChIKeyRJSWINAXCPBTMV-RNKPRXRFSA-N
MW154.25 g/mol
LogP2.67
Rot. Bonds3

About (2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol

(2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol (PubChem CID 90477861) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol.

Molecular Properties

Compound Name(2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol
PubChem CID90477861
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol
SMILESCC(C)=CC/C=C(/C)[C@H](C)O
InChIInChI=1S/C10H18O/c1-8(2)6-5-7-9(3)10(4)11/h6-7,10-11H,5H2,1-4H3/b9-7-/t10-/m0/s1
InChIKeyRJSWINAXCPBTMV-RNKPRXRFSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol
CID 11789646
(2E)-2-ethyl-6-methylhepta-2,5-diene-1,1-diol
CID 88527000
(2E)-2-methoxy-6-methylhepta-2,5-diene
CID 143367783
(3E)-3-methylocta-3,7-dien-2-ol
CID 20501690
(E)-6-hydroxy-2,2,5-trimethylhept-4-enal
CID 14565128
2,6-dimethylhepta-2,5-diene;(3S)-3-hydroxy-6-methylhept-5-en-2-one
CID 160955603
(2Z)-2-bromo-6-methylhepta-2,5-diene
CID 177405948
(2E)-2-bromo-6-methylhepta-2,5-diene
CID 10899422
2-iodo-6-methylhepta-2,5-diene
CID 71330256
(2E)-2-fluoro-6-methylhepta-2,5-diene
CID 143576133
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
(2S,3Z,6E)-1-bromo-3,7,11-trimethyldodeca-3,6,10-trien-2-ol
CID 162966744

Frequently Asked Questions

What is the IUPAC name of (2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol?
The IUPAC name of (2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol (CID 90477861) is (2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol.
What is the SMILES notation for (2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol?
The canonical SMILES for (2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol is CC(C)=CC/C=C(/C)[C@H](C)O.
What is the InChIKey of (2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol?
The InChIKey is RJSWINAXCPBTMV-RNKPRXRFSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)6-5-7-9(3)10(4)11/h6-7,10-11H,5H2,1-4H3/b9-7-/t10-/m0/s1.
What are the key properties of (2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol?
(2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-3,7-dimethylocta-3,6-dien-2-ol is sourced from PubChem (CID 90477861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).