(1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene

C16H26O — CID 71361377

IUPAC(1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
SMILESCO[C@@H]1C=C2C(C)(C)[C@H]3CC[C@@]2(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/t11-,12+,16-/m0/s1
InChIKeyVIHCRGZIINXRHA-OZVIIMIRSA-N
MW234.38 g/mol
LogP4.18
Rot. Bonds1

About (1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene

(1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene (PubChem CID 71361377) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene.

Molecular Properties

Compound Name(1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
PubChem CID71361377
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
SMILESCO[C@@H]1C=C2C(C)(C)[C@H]3CC[C@@]2(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/t11-,12+,16-/m0/s1
InChIKeyVIHCRGZIINXRHA-OZVIIMIRSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The IUPAC name of (1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene (CID 71361377) is (1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene.
What is the SMILES notation for (1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The canonical SMILES for (1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is CO[C@@H]1C=C2C(C)(C)[C@H]3CC[C@@]2(C3)C(C)(C)C1.
What is the InChIKey of (1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The InChIKey is VIHCRGZIINXRHA-OZVIIMIRSA-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/t11-,12+,16-/m0/s1.
What are the key properties of (1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
(1R,4S,8S)-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 (1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is sourced from PubChem (CID 71361377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).