(Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol

C11H22O2 — CID 142810502

IUPAC(Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol
SMILESC/C=C(\OCC)C(O)C(C)(C)CC
InChIInChI=1S/C11H22O2/c1-6-9(13-8-3)10(12)11(4,5)7-2/h6,10,12H,7-8H2,1-5H3/b9-6-
InChIKeyBXXXZSHNEYYVBE-TWGQIWQCSA-N
MW186.29 g/mol
LogP2.72
Rot. Bonds5

About (Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol

(Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol (PubChem CID 142810502) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol.

Molecular Properties

Compound Name(Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol
PubChem CID142810502
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol
SMILESC/C=C(\OCC)C(O)C(C)(C)CC
InChIInChI=1S/C11H22O2/c1-6-9(13-8-3)10(12)11(4,5)7-2/h6,10,12H,7-8H2,1-5H3/b9-6-
InChIKeyBXXXZSHNEYYVBE-TWGQIWQCSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol
CID 101004521
ethane;(Z)-3-ethoxy-6,6-dimethylhept-2-en-4-ol;(Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol;(Z)-4-ethoxy-1,1,1-trifluorohex-4-en-3-ol
CID 143076474
2-(2-Methylpropoxy)cyclohex-2-en-1-ol
CID 13333792
2-Ethoxy-4,4-dimethylhepta-1,6-dien-3-ol
CID 86074072
(4Z)-4-ethoxy-2,2,6-trimethylhepta-4,6-dien-3-ol
CID 101669719
1-(3,3-Dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol
CID 125478538
2-(2-Methylpropoxy)cyclopent-2-en-1-ol
CID 130130175
(1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol
CID 130629635
(1S)-2-(2-methylpropoxy)cyclohex-2-en-1-ol
CID 130741523
1-(4,4-Dimethyl-2,3-dihydropyran-6-yl)cyclobutan-1-ol
CID 135078002
3,4-dihydro-2H-pyran-6-yl-(2-fluoro-1-methylcyclopropyl)methanol
CID 130855556
(E)-4-methoxy-2,2-dimethylhex-4-en-3-ol
CID 13541711

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol?
The IUPAC name of (Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol (CID 142810502) is (Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol.
What is the SMILES notation for (Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol?
The canonical SMILES for (Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol is C/C=C(\OCC)C(O)C(C)(C)CC.
What is the InChIKey of (Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol?
The InChIKey is BXXXZSHNEYYVBE-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-9(13-8-3)10(12)11(4,5)7-2/h6,10,12H,7-8H2,1-5H3/b9-6-.
What are the key properties of (Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol?
(Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol has a molecular weight of 186.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol is sourced from PubChem (CID 142810502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).