(6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde

C15H22O — CID 86287600

IUPAC(6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde
SMILESC=C1CCCC(C)(C)[C@@]12CC=C(C=O)CC2
InChIInChI=1S/C15H22O/c1-12-5-4-8-14(2,3)15(12)9-6-13(11-16)7-10-15/h6,11H,1,4-5,7-10H2,2-3H3/t15-/m1/s1
InChIKeyMJSPQLDLFYGVAU-OAHLLOKOSA-N
MW218.34 g/mol
LogP4.05
Rot. Bonds1

About (6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde

(6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde (PubChem CID 86287600) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde.

Molecular Properties

Compound Name(6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde
PubChem CID86287600
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde
SMILESC=C1CCCC(C)(C)[C@@]12CC=C(C=O)CC2
InChIInChI=1S/C15H22O/c1-12-5-4-8-14(2,3)15(12)9-6-13(11-16)7-10-15/h6,11H,1,4-5,7-10H2,2-3H3/t15-/m1/s1
InChIKeyMJSPQLDLFYGVAU-OAHLLOKOSA-N
XLogP4.05
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 ≤ 54.05
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'}

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Related Compounds

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(8aR)-8a-methyl-3-prop-1-en-2-yl-2,4,5,8-tetrahydro-1H-azulene-6-carbaldehyde
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(3S,3aR,8aR)-3-hydroxy-8a-methyl-3-prop-1-en-2-yl-1,2,3a,4,5,8-hexahydroazulene-6-carbaldehyde
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1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
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3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
CID 25136706
(1Z,5E,8E)-4,4,8-trimethyl-7-oxocycloundeca-1,5,8-triene-1-carbaldehyde
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CID 129250076
(2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane
CID 56843547
2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde
CID 174930144
4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde
CID 90657647
(1R,3Z,7E,11R,12R,15S,16R)-1,8,12-trimethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene-4-carbaldehyde
CID 102515251

Frequently Asked Questions

What is the IUPAC name of (6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde?
The IUPAC name of (6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde (CID 86287600) is (6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde.
What is the SMILES notation for (6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde?
The canonical SMILES for (6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde is C=C1CCCC(C)(C)[C@@]12CC=C(C=O)CC2.
What is the InChIKey of (6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde?
The InChIKey is MJSPQLDLFYGVAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O/c1-12-5-4-8-14(2,3)15(12)9-6-13(11-16)7-10-15/h6,11H,1,4-5,7-10H2,2-3H3/t15-/m1/s1.
What are the key properties of (6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde?
(6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde has a molecular weight of 218.34 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde is sourced from PubChem (CID 86287600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).