4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene

C16H26O — CID 78062915

IUPAC4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
SMILESCOC1C=C2C(C)(C)C3CCC2(C3)C(C)(C)C1
InChIInChI=1S/C16H26O/c1-14(2)10-12(17-5)8-13-15(3,4)11-6-7-16(13,14)9-11/h8,11-12H,6-7,9-10H2,1-5H3
InChIKeyVIHCRGZIINXRHA-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.18
Rot. Bonds1

About 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene

4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene (PubChem CID 78062915) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene.

Molecular Properties

Compound Name4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
PubChem CID78062915
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
SMILESCOC1C=C2C(C)(C)C3CCC2(C3)C(C)(C)C1
InChIInChI=1S/C16H26O/c1-14(2)10-12(17-5)8-13-15(3,4)11-6-7-16(13,14)9-11/h8,11-12H,6-7,9-10H2,1-5H3
InChIKeyVIHCRGZIINXRHA-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-7-methoxy-1,1,5,5-tetramethyl-, (2S,4aR,7S)-
CID 71361377
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-7-methoxy-1,1,5,5-tetramethyl-, (2S,4aR,7R)-
CID 89431593
5-(1-Methoxybutan-2-yl)isolongifol-5-ene
CID 24755567
(3R,4aS,5R,7R)-7-methoxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 171358820
(2R,4S)-2-(2-methylprop-1-enyl)-4-[(5S,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolane
CID 163055971
5-(2-Methoxyethyl)isolongifol-5-ene
CID 24755533
4,5-(Methanoxyethano)isolongifol-4-ene
CID 24755570
2H-2,4a-Methanonaphthalen-7-ol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, 7-formate
CID 106939
2H-Pyran, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-yl)tetrahydro-4,6-dimethyl-, didehydro deriv.
CID 172922
(2S,4aR)-1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-7-ol
CID 25159531
5-(1-Methoxypropan-2-yl)isolongifol-5-ene
CID 24755532
4,5-(Methanoxy-2-methylethano)isolongifol-4-ene
CID 24755568

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The IUPAC name of 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene (CID 78062915) is 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene.
What is the SMILES notation for 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The canonical SMILES for 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is COC1C=C2C(C)(C)C3CCC2(C3)C(C)(C)C1.
What is the InChIKey of 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The InChIKey is VIHCRGZIINXRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-14(2)10-12(17-5)8-13-15(3,4)11-6-7-16(13,14)9-11/h8,11-12H,6-7,9-10H2,1-5H3.
What are the key properties of 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene has a molecular weight of 234.38 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is sourced from PubChem (CID 78062915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).