(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde

C15H22O — CID 14632892

IUPAC(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde
SMILESC=C1CC[C@@]2(C)C[C@@H]1[C@]1(C=O)CCC[C@]21C
InChIInChI=1S/C15H22O/c1-11-5-8-13(2)9-12(11)15(10-16)7-4-6-14(13,15)3/h10,12H,1,4-9H2,2-3H3/t12-,13-,14+,15+/m0/s1
InChIKeyWQOYFPJIOSPRJD-BYNSBNAKSA-N
MW218.34 g/mol
LogP3.74
Rot. Bonds1

About (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde

(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde (PubChem CID 14632892) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde.

Molecular Properties

Compound Name(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde
PubChem CID14632892
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde
SMILESC=C1CC[C@@]2(C)C[C@@H]1[C@]1(C=O)CCC[C@]21C
InChIInChI=1S/C15H22O/c1-11-5-8-13(2)9-12(11)15(10-16)7-4-6-14(13,15)3/h10,12H,1,4-9H2,2-3H3/t12-,13-,14+,15+/m0/s1
InChIKeyWQOYFPJIOSPRJD-BYNSBNAKSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde with MolForge

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Related Compounds

Decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-carboxaldehyde
CID 565584
(1S,2S,6S,7R)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one
CID 15819323
Norbicycloekasantalal
CID 85320720
(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-4-one
CID 12308774
(1R,2R,6S,7R)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-4-one
CID 15488852
Zizanal
CID 527191
(1S-(1alpha,3abeta,4alpha,8abeta,9S*))-decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-carboxaldehyde
CID 6455337
1,2,6-Trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-one
CID 14218184
(1S,2R,6S,7S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-one
CID 14218185
(1R,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-3-one
CID 21576983
(1S,2R,6S,7S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-4-one
CID 101357023
1,2,6-Trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one
CID 162902040

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde?
The IUPAC name of (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde (CID 14632892) is (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde.
What is the SMILES notation for (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde?
The canonical SMILES for (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde is C=C1CC[C@@]2(C)C[C@@H]1[C@]1(C=O)CCC[C@]21C.
What is the InChIKey of (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde?
The InChIKey is WQOYFPJIOSPRJD-BYNSBNAKSA-N. The full InChI is InChI=1S/C15H22O/c1-11-5-8-13(2)9-12(11)15(10-16)7-4-6-14(13,15)3/h10,12H,1,4-9H2,2-3H3/t12-,13-,14+,15+/m0/s1.
What are the key properties of (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde?
(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde has a molecular weight of 218.34 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carbaldehyde is sourced from PubChem (CID 14632892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).