3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol

C8H14O2 — CID 129194192

IUPAC3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol
SMILESCC1(C)CCC=C(O)OC1
InChIInChI=1S/C8H14O2/c1-8(2)5-3-4-7(9)10-6-8/h4,9H,3,5-6H2,1-2H3
InChIKeyOCVBXUAYLDTQEM-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.22
Rot. Bonds

About 3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol

3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol (PubChem CID 129194192) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol.

Molecular Properties

Compound Name3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol
PubChem CID129194192
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol
SMILESCC1(C)CCC=C(O)OC1
InChIInChI=1S/C8H14O2/c1-8(2)5-3-4-7(9)10-6-8/h4,9H,3,5-6H2,1-2H3
InChIKeyOCVBXUAYLDTQEM-UHFFFAOYSA-N
XLogP2.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane
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methyl 5,5-dimethylcyclohexene-1-carboxylate
CID 20694542
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CID 155753878
(E)-4-(5,5-dimethylcyclohexen-1-yl)but-3-en-2-one
CID 166083138
6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-ol
CID 121208345
2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid
CID 11182739
18-hydroxy-16-methoxy-5,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8,9,10-tetrone
CID 91610868
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol?
The IUPAC name of 3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol (CID 129194192) is 3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol.
What is the SMILES notation for 3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol?
The canonical SMILES for 3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol is CC1(C)CCC=C(O)OC1.
What is the InChIKey of 3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol?
The InChIKey is OCVBXUAYLDTQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2)5-3-4-7(9)10-6-8/h4,9H,3,5-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol?
3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol has a molecular weight of 142.20 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4,5-dihydro-2H-oxepin-7-ol is sourced from PubChem (CID 129194192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).