4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene

C15H24 — CID 521380

IUPAC4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
SMILESCC1=CCC2C(C)=CCC(C(C)C)C2C1
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3
InChIKeyUSDOQCCMRDNVAH-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds1

About 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene

4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene (PubChem CID 521380) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene.

Molecular Properties

Compound Name4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
PubChem CID521380
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
SMILESCC1=CCC2C(C)=CCC(C(C)C)C2C1
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3
InChIKeyUSDOQCCMRDNVAH-UHFFFAOYSA-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 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene?
The IUPAC name of 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene (CID 521380) is 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene.
What is the SMILES notation for 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene?
The canonical SMILES for 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene is CC1=CCC2C(C)=CCC(C(C)C)C2C1.
What is the InChIKey of 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene?
The InChIKey is USDOQCCMRDNVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3.
What are the key properties of 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene?
4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene 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 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene is sourced from PubChem (CID 521380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).