(1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene

C15H24 — CID 6429151

IUPAC(1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene
SMILESCC1C=CC2(CC1)C(C(C)C)=CC[C@@H]2C
InChIInChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h6-7,9,11-13H,5,8,10H2,1-4H3/t12?,13-,15?/m0/s1
InChIKeyXTISJFXWBIASHF-OWYJLGKBSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds1

About (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene

(1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene (PubChem CID 6429151) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene.

Molecular Properties

Compound Name(1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene
PubChem CID6429151
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene
SMILESCC1C=CC2(CC1)C(C(C)C)=CC[C@@H]2C
InChIInChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h6-7,9,11-13H,5,8,10H2,1-4H3/t12?,13-,15?/m0/s1
InChIKeyXTISJFXWBIASHF-OWYJLGKBSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene?
The IUPAC name of (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene (CID 6429151) is (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene.
What is the SMILES notation for (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene?
The canonical SMILES for (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene is CC1C=CC2(CC1)C(C(C)C)=CC[C@@H]2C.
What is the InChIKey of (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene?
The InChIKey is XTISJFXWBIASHF-OWYJLGKBSA-N. The full InChI is InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h6-7,9,11-13H,5,8,10H2,1-4H3/t12?,13-,15?/m0/s1.
What are the key properties of (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene?
(1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene has a molecular weight of 204.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene is sourced from PubChem (CID 6429151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).