(1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol

C13H20O2 — CID 162833892

IUPAC(1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol
SMILESC=C1C2C[C@@H]3CCC[C@]1(C)[C@H]3[C@]2(O)OC
InChIInChI=1S/C13H20O2/c1-8-10-7-9-5-4-6-12(8,2)11(9)13(10,14)15-3/h9-11,14H,1,4-7H2,2-3H3/t9-,10?,11-,12-,13+/m0/s1
InChIKeyKVDNDRKELNLBLO-HNMFLPSRSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds1

About (1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol

(1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol (PubChem CID 162833892) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol.

Molecular Properties

Compound Name(1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol
PubChem CID162833892
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol
SMILESC=C1C2C[C@@H]3CCC[C@]1(C)[C@H]3[C@]2(O)OC
InChIInChI=1S/C13H20O2/c1-8-10-7-9-5-4-6-12(8,2)11(9)13(10,14)15-3/h9-11,14H,1,4-7H2,2-3H3/t9-,10?,11-,12-,13+/m0/s1
InChIKeyKVDNDRKELNLBLO-HNMFLPSRSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol?
The IUPAC name of (1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol (CID 162833892) is (1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol.
What is the SMILES notation for (1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol?
The canonical SMILES for (1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol is C=C1C2C[C@@H]3CCC[C@]1(C)[C@H]3[C@]2(O)OC.
What is the InChIKey of (1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol?
The InChIKey is KVDNDRKELNLBLO-HNMFLPSRSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-10-7-9-5-4-6-12(8,2)11(9)13(10,14)15-3/h9-11,14H,1,4-7H2,2-3H3/t9-,10?,11-,12-,13+/m0/s1.
What are the key properties of (1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol?
(1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol has a molecular weight of 208.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7S,8S,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decan-9-ol is sourced from PubChem (CID 162833892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).