(Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol

C12H24O2 — CID 89014111

IUPAC(Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol
SMILESCOC(/C=C(\O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-11(2,3)9(13)8-10(14-7)12(4,5)6/h8,10,13H,1-7H3/b9-8-
InChIKeyLEHBIECZSSUORV-HJWRWDBZSA-N
MW200.32 g/mol
LogP3.54
Rot. Bonds2

About (Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol

(Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol (PubChem CID 89014111) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol.

Molecular Properties

Compound Name(Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol
PubChem CID89014111
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol
SMILESCOC(/C=C(\O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-11(2,3)9(13)8-10(14-7)12(4,5)6/h8,10,13H,1-7H3/b9-8-
InChIKeyLEHBIECZSSUORV-HJWRWDBZSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.54
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

(Z)-2,2,6,6-tetramethylhept-3-ene-3,5-diol
CID 11520666
(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene
CID 59561715
3,5-Dimethoxy-2,2,6,6-tetramethylhept-3-ene
CID 72326599
2,2,6,6-Tetramethylhept-3-ene-3,5-diol
CID 72993095
5-Ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene
CID 90935262
1-Tert-butyl-4-methoxycyclohexa-2,5-dien-1-ol
CID 117773052
(Z)-5-methoxy-2,2,6,6-tetramethylhept-4-en-3-ol
CID 118682634
3-Ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene
CID 123921330
(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane
CID 144918412
3-Methoxy-2,2-dimethylhex-4-en-1-ol
CID 153777583
(3S)-3-butoxy-2,2-dimethylhex-4-en-1-ol
CID 173596141
2-[(E)-1-ethoxybut-2-enyl]-2-methylpropane-1,3-diol
CID 21720316

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol?
The IUPAC name of (Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol (CID 89014111) is (Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol.
What is the SMILES notation for (Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol?
The canonical SMILES for (Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol is COC(/C=C(\O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol?
The InChIKey is LEHBIECZSSUORV-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2,3)9(13)8-10(14-7)12(4,5)6/h8,10,13H,1-7H3/b9-8-.
What are the key properties of (Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol?
(Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol has a molecular weight of 200.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol is sourced from PubChem (CID 89014111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).