[(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol

C18H28O2 — CID 142113467

IUPAC[(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol
SMILESC=CCC1C=C(CO)C23CC(CC[C@]2(C)C1)C(C)(C)O3
InChIInChI=1S/C18H28O2/c1-5-6-13-9-15(12-19)18-11-14(16(2,3)20-18)7-8-17(18,4)10-13/h5,9,13-14,19H,1,6-8,10-12H2,2-4H3/t13?,14?,17-,18?/m1/s1
InChIKeyNWPMNTQCMJRNPQ-SEEMLRNQSA-N
MW276.42 g/mol
LogP3.86
Rot. Bonds3

About [(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol

[(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol (PubChem CID 142113467) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is [(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol.

Molecular Properties

Compound Name[(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol
PubChem CID142113467
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name[(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol
SMILESC=CCC1C=C(CO)C23CC(CC[C@]2(C)C1)C(C)(C)O3
InChIInChI=1S/C18H28O2/c1-5-6-13-9-15(12-19)18-11-14(16(2,3)20-18)7-8-17(18,4)10-13/h5,9,13-14,19H,1,6-8,10-12H2,2-4H3/t13?,14?,17-,18?/m1/s1
InChIKeyNWPMNTQCMJRNPQ-SEEMLRNQSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,6R)-4-butyl-2-(hydroxymethyl)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-ol
CID 142113536
3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol
CID 15512998
4-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]butan-1-ol
CID 68573273
[(1R,4R,6R,9R)-4-ethoxy-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methyl acetate
CID 142122560
(1R,6R,9R)-2-butyl-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one
CID 12039329
(1R,6S,9R)-6,10,10-trimethyl-2-(3-methylbutyl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
CID 15512991
(1R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
CID 5320214
[(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-[[(6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methoxy]oxan-4-yl] acetate
CID 10187584
(1R,6R,9R)-2-butyl-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene-3,4,4-triol
CID 163640633
2-[(2R,4aR)-8,8-dibutyl-4a-methyl-2,3,4,5-tetrahydronaphthalen-2-yl]propan-2-ol;(1R,6R,9R)-2-butyl-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one
CID 161444307
6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-ol
CID 72789838
(1S,3S,6R,9R)-3-butyl-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-ol
CID 15513011

Frequently Asked Questions

What is the IUPAC name of [(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol?
The IUPAC name of [(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol (CID 142113467) is [(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol.
What is the SMILES notation for [(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol?
The canonical SMILES for [(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol is C=CCC1C=C(CO)C23CC(CC[C@]2(C)C1)C(C)(C)O3.
What is the InChIKey of [(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol?
The InChIKey is NWPMNTQCMJRNPQ-SEEMLRNQSA-N. The full InChI is InChI=1S/C18H28O2/c1-5-6-13-9-15(12-19)18-11-14(16(2,3)20-18)7-8-17(18,4)10-13/h5,9,13-14,19H,1,6-8,10-12H2,2-4H3/t13?,14?,17-,18?/m1/s1.
What are the key properties of [(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol?
[(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol has a molecular weight of 276.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6,10,10-trimethyl-4-prop-2-enyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol is sourced from PubChem (CID 142113467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).