(4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol

C11H20O2 — CID 101004521

IUPAC(4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol
SMILESC=C/C=C(\OCC)C(O)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-6-8-9(13-7-2)10(12)11(3,4)5/h6,8,10,12H,1,7H2,2-5H3/b9-8-
InChIKeyPPKMZLGMZQPONK-HJWRWDBZSA-N
MW184.28 g/mol
LogP2.50
Rot. Bonds4

About (4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol

(4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol (PubChem CID 101004521) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol.

Molecular Properties

Compound Name(4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol
PubChem CID101004521
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol
SMILESC=C/C=C(\OCC)C(O)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-6-8-9(13-7-2)10(12)11(3,4)5/h6,8,10,12H,1,7H2,2-5H3/b9-8-
InChIKeyPPKMZLGMZQPONK-HJWRWDBZSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-4-methoxyocta-4,6-diene-2,3-diol
CID 162945692
(2S,3R,4E,6E)-4-methoxyocta-4,6-diene-2,3-diol
CID 163195656
3-Methyl-3-methylcatechol
CID 129720525
1,2-Dihydroxy-3-ethoxy-cyclohexa-3,5-diene
CID 85401008
(4Z)-4-ethoxy-2,2,6-trimethylhepta-4,6-dien-3-ol
CID 101669719
4-O-(2-hydroxy-1-hydroxymethylethyl)-dihydroconiferyl alcohol
CID 129848335
(4E)-3-tert-butyl-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol
CID 11107479
(E)-4-methoxy-2,2-dimethylhex-4-en-3-ol
CID 13541711
(E)-4-methoxy-2-methylhex-4-en-3-ol
CID 13541713
Californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol
CID 58278990
(Z,3S)-2,6-dimethyl-4-propan-2-yloxyhept-4-en-3-ol
CID 60119470
3-Tert-butyl-5-ethoxycyclohexa-1,5-diene-1,4-diol
CID 69441896

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol?
The IUPAC name of (4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol (CID 101004521) is (4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol.
What is the SMILES notation for (4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol?
The canonical SMILES for (4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol is C=C/C=C(\OCC)C(O)C(C)(C)C.
What is the InChIKey of (4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol?
The InChIKey is PPKMZLGMZQPONK-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-8-9(13-7-2)10(12)11(3,4)5/h6,8,10,12H,1,7H2,2-5H3/b9-8-.
What are the key properties of (4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol?
(4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol is sourced from PubChem (CID 101004521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).