(4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol

C9H14O2 — CID 130349286

IUPAC(4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESCC1C2C=CC(O2)[C@H](C)C1O
InChIInChI=1S/C9H14O2/c1-5-7-3-4-8(11-7)6(2)9(5)10/h3-10H,1-2H3/t5-,6?,7?,8?,9?/m0/s1
InChIKeyQCPBKNVOPQAYFS-OQOOARCMSA-N
MW154.21 g/mol
LogP0.96
Rot. Bonds

About (4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol

(4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 130349286) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name(4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID130349286
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESCC1C2C=CC(O2)[C@H](C)C1O
InChIInChI=1S/C9H14O2/c1-5-7-3-4-8(11-7)6(2)9(5)10/h3-10H,1-2H3/t5-,6?,7?,8?,9?/m0/s1
InChIKeyQCPBKNVOPQAYFS-OQOOARCMSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-iodo-6-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 130388080
(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
(1R,2R,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 46217809
2-[(1R,2S,3R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]acetic acid
CID 122519108
1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)propan-2-one
CID 68584610
2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
CID 21487025
2,3,4,5,6-pentamethylcyclohexan-1-ol
CID 18730220
(1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol
CID 146049529
(5R)-3,5,6-trimethyloxane-2,4-diol
CID 59897700
[(2S,3S)-3-hydroxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl] acetate
CID 134856342
(1R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 118888772
1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol
CID 130892049

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of (4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol (CID 130349286) is (4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for (4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for (4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol is CC1C2C=CC(O2)[C@H](C)C1O.
What is the InChIKey of (4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is QCPBKNVOPQAYFS-OQOOARCMSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-7-3-4-8(11-7)6(2)9(5)10/h3-10H,1-2H3/t5-,6?,7?,8?,9?/m0/s1.
What are the key properties of (4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
(4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol has a molecular weight of 154.21 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 130349286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).