2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol

C11H20O2 — CID 86074072

IUPAC2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol
SMILESC=CCC(C)(C)C(O)C(=C)OCC
InChIInChI=1S/C11H20O2/c1-6-8-11(4,5)10(12)9(3)13-7-2/h6,10,12H,1,3,7-8H2,2,4-5H3
InChIKeyNMKYDYONDJLMMD-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.50
Rot. Bonds6

About 2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol

2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol (PubChem CID 86074072) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol.

Molecular Properties

Compound Name2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol
PubChem CID86074072
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol
SMILESC=CCC(C)(C)C(O)C(=C)OCC
InChIInChI=1S/C11H20O2/c1-6-8-11(4,5)10(12)9(3)13-7-2/h6,10,12H,1,3,7-8H2,2,4-5H3
InChIKeyNMKYDYONDJLMMD-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol
CID 135038994
2-(3-Hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol
CID 21258651
(2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol
CID 58260802
3,3-Dimethylhex-5-ene-1,2-diol
CID 88954245
4-Methoxy-4-methylhex-1-en-3-ol
CID 89178832
1-(2-Methylbutan-2-yloxy)hex-5-ene-2,4-diol
CID 134369445
1-(2,4,4-Trimethylhept-6-enoxy)butan-2-ol
CID 139606103
(3-Ethyl-3-prop-2-enyloxetan-2-yl)methanol
CID 141029005
(Z)-3-ethoxy-5,5-dimethylhept-2-en-4-ol
CID 142810502
2,2-Dimethyl-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-ol
CID 142883359
(Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol
CID 143077184
(Z)-6,6-dimethyl-3-propan-2-yloxyhept-2-en-4-ol
CID 143080358

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol?
The IUPAC name of 2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol (CID 86074072) is 2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol.
What is the SMILES notation for 2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol?
The canonical SMILES for 2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol is C=CCC(C)(C)C(O)C(=C)OCC.
What is the InChIKey of 2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol?
The InChIKey is NMKYDYONDJLMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-8-11(4,5)10(12)9(3)13-7-2/h6,10,12H,1,3,7-8H2,2,4-5H3.
What are the key properties of 2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol?
2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,4-dimethylhepta-1,6-dien-3-ol is sourced from PubChem (CID 86074072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).