5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol

C20H32O2 — CID 73319127

IUPAC5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol
SMILESC=C1CCC2OC2(C)CCC(C)(CC=CC(C)(C)O)C2CC12
InChIInChI=1S/C20H32O2/c1-14-7-8-17-20(5,22-17)12-11-19(4,16-13-15(14)16)10-6-9-18(2,3)21/h6,9,15-17,21H,1,7-8,10-13H2,2-5H3
InChIKeyHYYLPNGSMPGSAH-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.63
Rot. Bonds3

About 5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol

5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol (PubChem CID 73319127) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol.

Molecular Properties

Compound Name5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol
PubChem CID73319127
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol
SMILESC=C1CCC2OC2(C)CCC(C)(CC=CC(C)(C)O)C2CC12
InChIInChI=1S/C20H32O2/c1-14-7-8-17-20(5,22-17)12-11-19(4,16-13-15(14)16)10-6-9-18(2,3)21/h6,9,15-17,21H,1,7-8,10-13H2,2-5H3
InChIKeyHYYLPNGSMPGSAH-UHFFFAOYSA-N
XLogP4.63
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol with MolForge

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Related Compounds

1-[(1R,4R,6R,10S,12R)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl]-4-methylpent-3-en-1-one
CID 162931128
[5-[(1R,4S,6R,10S,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl]-2-methyl-5-oxopentan-2-yl] acetate
CID 101412143
(E,6S)-2-methyl-6-[(1R,2S,3S,6R,7S)-6-methyl-10-methylidene-3-tricyclo[5.3.0.02,6]decanyl]hept-3-en-2-ol
CID 162858887
(3R,4S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol
CID 22297359
(1S,4S,9S)-4-[(3Z)-hepta-3,6-dien-3-yl]-1,5-dimethyl-6-methylidene-10-oxabicyclo[7.1.0]decane
CID 90345902
(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol
CID 5318339
(1S,4S,10R,14S)-4-methyl-9-methylidene-14-(4-methylpent-3-enyl)-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-13-one
CID 163022424
(1S,10R)-4,13,13-trimethyl-9-methylidene-5,11-dioxatricyclo[8.3.0.04,6]tridecan-12-one
CID 129316957
(1S,3R,5S,7R)-3,12,12-trimethyl-8-methylidene-4-oxatricyclo[5.5.0.03,5]dodecane
CID 102243857
methyl (1S,4S,5R,9R)-4-[(E,5S)-1-acetyloxy-5,6-dihydroxy-6-methylhept-2-en-2-yl]-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]decane-5-carboxylate
CID 163193644
6-(4-hydroxy-3-methyl-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-5-yl)-2-methylhept-3-ene-2,6-diol
CID 163094003
12-(hydroxymethyl)-4,12-dimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one
CID 14543516

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol?
The IUPAC name of 5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol (CID 73319127) is 5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol.
What is the SMILES notation for 5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol?
The canonical SMILES for 5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol is C=C1CCC2OC2(C)CCC(C)(CC=CC(C)(C)O)C2CC12.
What is the InChIKey of 5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol?
The InChIKey is HYYLPNGSMPGSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-14-7-8-17-20(5,22-17)12-11-19(4,16-13-15(14)16)10-6-9-18(2,3)21/h6,9,15-17,21H,1,7-8,10-13H2,2-5H3.
What are the key properties of 5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol?
5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol has a molecular weight of 304.47 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol is sourced from PubChem (CID 73319127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).