9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol

C16H26O2 — CID 138966378

IUPAC9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol
SMILESC=CCC12CCC(O)C(C)(C=C1C)CC2COC
InChIInChI=1S/C16H26O2/c1-5-7-16-8-6-14(17)15(3,9-12(16)2)10-13(16)11-18-4/h5,9,13-14,17H,1,6-8,10-11H2,2-4H3
InChIKeyRXEIHNVYZNJDHO-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.32
Rot. Bonds4

About 9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol

9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol (PubChem CID 138966378) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol.

Molecular Properties

Compound Name9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol
PubChem CID138966378
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol
SMILESC=CCC12CCC(O)C(C)(C=C1C)CC2COC
InChIInChI=1S/C16H26O2/c1-5-7-16-8-6-14(17)15(3,9-12(16)2)10-13(16)11-18-4/h5,9,13-14,17H,1,6-8,10-11H2,2-4H3
InChIKeyRXEIHNVYZNJDHO-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.32
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

Chinensiol
CID 100936705
[9a-[[3-(hydroxymethyl)-5,5,9-trimethyl-2,4a,6,7,8,9-hexahydro-1H-benzo[7]annulen-9a-yl]oxy]-5,5,9-trimethyl-2,4a,6,7,8,9-hexahydro-1H-benzo[7]annulen-3-yl]methanol
CID 85122888
2-Carene-5,8-diol
CID 139591324
[(4aS,9R,9aS)-9a-[[(4aS,9R,9aS)-3-(hydroxymethyl)-5,5,9-trimethyl-2,4a,6,7,8,9-hexahydro-1H-benzo[7]annulen-9a-yl]oxy]-5,5,9-trimethyl-2,4a,6,7,8,9-hexahydro-1H-benzo[7]annulen-3-yl]methanol
CID 162863145
(4aR,5S,9S,9aR)-9-(hydroxymethyl)-2,5,9-trimethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-ol
CID 162998248
(4aR,5S,9S,9aS)-9-(hydroxymethyl)-2,5,9-trimethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-ol
CID 162998249
(6,8,9-Trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-enyl)methan-1-ol
CID 3110827
(6,8,9-Trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
CID 3110828
(2R,3S,6S,7R)-2-(hydroxymethyl)-3-[(2Z)-1-hydroxy-6-methylhepta-2,5-dien-2-yl]-6-methylbicyclo[4.3.1]dec-1(9)-en-7-ol
CID 21774658
(2S,5S)-5-tert-butyl-2-(3-hydroxypropyl)cyclohex-3-en-1-ol
CID 134992516
(1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol
CID 134995690
(4-Hexyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
CID 2855245

Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol?
The IUPAC name of 9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol (CID 138966378) is 9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol.
What is the SMILES notation for 9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol?
The canonical SMILES for 9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol is C=CCC12CCC(O)C(C)(C=C1C)CC2COC.
What is the InChIKey of 9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol?
The InChIKey is RXEIHNVYZNJDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-7-16-8-6-14(17)15(3,9-12(16)2)10-13(16)11-18-4/h5,9,13-14,17H,1,6-8,10-11H2,2-4H3.
What are the key properties of 9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol?
9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol is sourced from PubChem (CID 138966378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).