1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol

C12H16O2 — CID 130892049

IUPAC1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol
SMILESC=CC(O)[C@@H]1[C@H](C)[C@H]2C=CC=C[C@@H]1O2
InChIInChI=1S/C12H16O2/c1-3-9(13)12-8(2)10-6-4-5-7-11(12)14-10/h3-13H,1H2,2H3/t8-,9?,10-,11+,12+/m1/s1
InChIKeyWPSBPQZNUZEOSB-MGMMNNENSA-N
MW192.26 g/mol
LogP1.68
Rot. Bonds2

About 1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol

1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol (PubChem CID 130892049) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol
PubChem CID130892049
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol
SMILESC=CC(O)[C@@H]1[C@H](C)[C@H]2C=CC=C[C@@H]1O2
InChIInChI=1S/C12H16O2/c1-3-9(13)12-8(2)10-6-4-5-7-11(12)14-10/h3-13H,1H2,2H3/t8-,9?,10-,11+,12+/m1/s1
InChIKeyWPSBPQZNUZEOSB-MGMMNNENSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol?
The IUPAC name of 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) is 1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol is C=CC(O)[C@@H]1[C@H](C)[C@H]2C=CC=C[C@@H]1O2.
What is the InChIKey of 1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol?
The InChIKey is WPSBPQZNUZEOSB-MGMMNNENSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-9(13)12-8(2)10-6-4-5-7-11(12)14-10/h3-13H,1H2,2H3/t8-,9?,10-,11+,12+/m1/s1.
What are the key properties of 1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol?
1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol is sourced from PubChem (CID 130892049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).