3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene

C16H24 — CID 144627105

IUPAC3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene
SMILESCC(C)c1cccc2c1CCC(C)C2(C)C
InChIInChI=1S/C16H24/c1-11(2)13-7-6-8-15-14(13)10-9-12(3)16(15,4)5/h6-8,11-12H,9-10H2,1-5H3
InChIKeyZNIXGSDDYHMGSE-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.67
Rot. Bonds1

About 3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene

3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene (PubChem CID 144627105) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene
PubChem CID144627105
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene
SMILESCC(C)c1cccc2c1CCC(C)C2(C)C
InChIInChI=1S/C16H24/c1-11(2)13-7-6-8-15-14(13)10-9-12(3)16(15,4)5/h6-8,11-12H,9-10H2,1-5H3
InChIKeyZNIXGSDDYHMGSE-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene (CID 144627105) is 3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene is CC(C)c1cccc2c1CCC(C)C2(C)C.
What is the InChIKey of 3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene?
The InChIKey is ZNIXGSDDYHMGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-11(2)13-7-6-8-15-14(13)10-9-12(3)16(15,4)5/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of 3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene?
3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene has a molecular weight of 216.37 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 144627105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).