(1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene

C15H24 — CID 6428487

IUPAC(1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene
SMILESCC1=CCC2(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/h7,13H,5-6,8-10H2,1-4H3/t13-,15?/m0/s1
InChIKeyHMKLOOMRRZKSNM-CFMCSPIPSA-N
MW204.36 g/mol
LogP4.87
Rot. Bonds

About (1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene

(1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene (PubChem CID 6428487) 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-ylidenespiro[4.5]dec-8-ene.

Molecular Properties

Compound Name(1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene
PubChem CID6428487
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene
SMILESCC1=CCC2(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/h7,13H,5-6,8-10H2,1-4H3/t13-,15?/m0/s1
InChIKeyHMKLOOMRRZKSNM-CFMCSPIPSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.87
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-ylidenespiro[4.5]dec-8-ene?
The IUPAC name of (1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene (CID 6428487) is (1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene.
What is the SMILES notation for (1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene?
The canonical SMILES for (1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene is CC1=CCC2(CC1)C(=C(C)C)CC[C@@H]2C.
What is the InChIKey of (1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene?
The InChIKey is HMKLOOMRRZKSNM-CFMCSPIPSA-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/h7,13H,5-6,8-10H2,1-4H3/t13-,15?/m0/s1.
What are the key properties of (1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene?
(1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene has a molecular weight of 204.36 g/mol, XLogP of 4.87, 0 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-ylidenespiro[4.5]dec-8-ene is sourced from PubChem (CID 6428487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).