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

C18H30O — CID 24755533

IUPAC(1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
SMILESCOCCC1=C2C(C)(C)[C@H]3CC[C@@]2(C3)C(C)(C)CC1
InChIInChI=1S/C18H30O/c1-16(2)9-6-13(8-11-19-5)15-17(3,4)14-7-10-18(15,16)12-14/h14H,6-12H2,1-5H3/t14-,18-/m0/s1
InChIKeyMNCVNIHMEDMSII-KSSFIOAISA-N
MW262.44 g/mol
LogP4.97
Rot. Bonds3

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

(1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene (PubChem CID 24755533) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is (1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene.

Molecular Properties

Compound Name(1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
PubChem CID24755533
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name(1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
SMILESCOCCC1=C2C(C)(C)[C@H]3CC[C@@]2(C3)C(C)(C)CC1
InChIInChI=1S/C18H30O/c1-16(2)9-6-13(8-11-19-5)15-17(3,4)14-7-10-18(15,16)12-14/h14H,6-12H2,1-5H3/t14-,18-/m0/s1
InChIKeyMNCVNIHMEDMSII-KSSFIOAISA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.97
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,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The IUPAC name of (1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene (CID 24755533) is (1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene.
What is the SMILES notation for (1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The canonical SMILES for (1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is COCCC1=C2C(C)(C)[C@H]3CC[C@@]2(C3)C(C)(C)CC1.
What is the InChIKey of (1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The InChIKey is MNCVNIHMEDMSII-KSSFIOAISA-N. The full InChI is InChI=1S/C18H30O/c1-16(2)9-6-13(8-11-19-5)15-17(3,4)14-7-10-18(15,16)12-14/h14H,6-12H2,1-5H3/t14-,18-/m0/s1.
What are the key properties of (1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
(1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene has a molecular weight of 262.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-5-(2-methoxyethyl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is sourced from PubChem (CID 24755533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).