(E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol

C12H24O2 — CID 11790228

IUPAC(E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol
SMILESCCO/C=C/CC(O)(C(C)C)C(C)C
InChIInChI=1S/C12H24O2/c1-6-14-9-7-8-12(13,10(2)3)11(4)5/h7,9-11,13H,6,8H2,1-5H3/b9-7+
InChIKeyVNZPGBJLGDZRSS-VQHVLOKHSA-N
MW200.32 g/mol
LogP2.97
Rot. Bonds6

About (E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol

(E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol (PubChem CID 11790228) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol.

Molecular Properties

Compound Name(E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol
PubChem CID11790228
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol
SMILESCCO/C=C/CC(O)(C(C)C)C(C)C
InChIInChI=1S/C12H24O2/c1-6-14-9-7-8-12(13,10(2)3)11(4)5/h7,9-11,13H,6,8H2,1-5H3/b9-7+
InChIKeyVNZPGBJLGDZRSS-VQHVLOKHSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.97
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

3,4-Dimethyl-5-hexen-3-ol
CID 552025
3-Ethyl-4-methyl-5-hexen-3-ol
CID 12431763
(3R)-2,3-dimethylhex-5-en-3-ol
CID 59910936
2,3-Dimethyl-5-hexen-3-ol
CID 140557
2,3,4-Trimethyl-5-hexen-3-ol
CID 141427
2-Methyl-3-isopropyl-hex-5-en-3-ol
CID 11321091
2,2-di(propan-2-yl)-3H-furan
CID 45091822
(Z)-6-methoxy-2-methylhex-5-en-3-ol
CID 13111025
(Z,3S,4R)-6-methoxy-4-methylhex-5-en-3-ol
CID 13950379
3,4,5-Trimethyl-1,6-heptadien-4-ol
CID 14026946
3-Ethyl-2,4-dimethylhex-5-en-3-ol
CID 86043742
(E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol
CID 134978905

Frequently Asked Questions

What is the IUPAC name of (E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol?
The IUPAC name of (E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol (CID 11790228) is (E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol.
What is the SMILES notation for (E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol?
The canonical SMILES for (E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol is CCO/C=C/CC(O)(C(C)C)C(C)C.
What is the InChIKey of (E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol?
The InChIKey is VNZPGBJLGDZRSS-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-14-9-7-8-12(13,10(2)3)11(4)5/h7,9-11,13H,6,8H2,1-5H3/b9-7+.
What are the key properties of (E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol?
(E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol has a molecular weight of 200.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol is sourced from PubChem (CID 11790228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).