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

C14H20O2 — CID 163018084

IUPAC(1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
SMILESC=C1C2C[C@H]3CCC[C@]1(C)[C@@]3(C=O)[C@@H]2OC
InChIInChI=1S/C14H20O2/c1-9-11-7-10-5-4-6-13(9,2)14(10,8-15)12(11)16-3/h8,10-12H,1,4-7H2,2-3H3/t10-,11?,12-,13+,14-/m1/s1
InChIKeyLWOXGOCDYCTVAW-RKFYDKJMSA-N
MW220.31 g/mol
LogP2.58
Rot. Bonds2

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

(1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde (PubChem CID 163018084) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde.

Molecular Properties

Compound Name(1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
PubChem CID163018084
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
SMILESC=C1C2C[C@H]3CCC[C@]1(C)[C@@]3(C=O)[C@@H]2OC
InChIInChI=1S/C14H20O2/c1-9-11-7-10-5-4-6-13(9,2)14(10,8-15)12(11)16-3/h8,10-12H,1,4-7H2,2-3H3/t10-,11?,12-,13+,14-/m1/s1
InChIKeyLWOXGOCDYCTVAW-RKFYDKJMSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(7-Methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal
CID 162826072
3-[(1S,2S,4R,7R)-7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]propanal
CID 162826073
10-(Hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
CID 162828770
(1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
CID 162828771
7-Hydroxy-7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
CID 162836429
(1S,4R,7R)-7-hydroxy-7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
CID 162836430
5-(Hydroxymethyl)-7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
CID 162890875
(1R,4R,5S,7R)-5-(hydroxymethyl)-7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
CID 162890876
9-Methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
CID 163018083
(1R,3S,7S,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
CID 163018085
7-Methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
CID 163043513
(1R,4R,7R)-7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
CID 163043514

Frequently Asked Questions

What is the IUPAC name of (1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde?
The IUPAC name of (1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde (CID 163018084) is (1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde.
What is the SMILES notation for (1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde?
The canonical SMILES for (1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde is C=C1C2C[C@H]3CCC[C@]1(C)[C@@]3(C=O)[C@@H]2OC.
What is the InChIKey of (1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde?
The InChIKey is LWOXGOCDYCTVAW-RKFYDKJMSA-N. The full InChI is InChI=1S/C14H20O2/c1-9-11-7-10-5-4-6-13(9,2)14(10,8-15)12(11)16-3/h8,10-12H,1,4-7H2,2-3H3/t10-,11?,12-,13+,14-/m1/s1.
What are the key properties of (1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde?
(1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde has a molecular weight of 220.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde is sourced from PubChem (CID 163018084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).