(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol

C11H18O — CID 143045895

IUPAC(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
SMILESC=C/C(C[C@@H](C)O)=C(C)\C=C/C
InChIInChI=1S/C11H18O/c1-5-7-9(3)11(6-2)8-10(4)12/h5-7,10,12H,2,8H2,1,3-4H3/b7-5-,11-9+/t10-/m1/s1
InChIKeyIKQNVEXZFGIPQT-ODEJVBLDSA-N
MW166.26 g/mol
LogP2.84
Rot. Bonds4

About (2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol

(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol (PubChem CID 143045895) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol.

Molecular Properties

Compound Name(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
PubChem CID143045895
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
SMILESC=C/C(C[C@@H](C)O)=C(C)\C=C/C
InChIInChI=1S/C11H18O/c1-5-7-9(3)11(6-2)8-10(4)12/h5-7,10,12H,2,8H2,1,3-4H3/b7-5-,11-9+/t10-/m1/s1
InChIKeyIKQNVEXZFGIPQT-ODEJVBLDSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
CID 142238134
4-methylidenehex-5-en-2-ol
CID 13427514
(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol
CID 145191934
4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene
CID 59890757
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
(2Z,4Z,6Z)-4-methyl-5-propylocta-2,4,6-triene
CID 144517044
(3Z,5Z)-3-ethenyl-4-methyl-1-[(6S)-3-methyl-6-propan-2-yl-1,3-diazinan-1-yl]hepta-3,5-dien-1-one
CID 129309387
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
propane-1,2-diol;bis(prop-1-ene)
CID 87325568
(3Z)-3-ethylidene-5-methoxyhex-1-ene
CID 145145637

Frequently Asked Questions

What is the IUPAC name of (2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol?
The IUPAC name of (2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol (CID 143045895) is (2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol.
What is the SMILES notation for (2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol?
The canonical SMILES for (2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol is C=C/C(C[C@@H](C)O)=C(C)\C=C/C.
What is the InChIKey of (2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol?
The InChIKey is IKQNVEXZFGIPQT-ODEJVBLDSA-N. The full InChI is InChI=1S/C11H18O/c1-5-7-9(3)11(6-2)8-10(4)12/h5-7,10,12H,2,8H2,1,3-4H3/b7-5-,11-9+/t10-/m1/s1.
What are the key properties of (2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol?
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol is sourced from PubChem (CID 143045895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).