ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene

C15H24 — CID 144627075

IUPACethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene
SMILESCC.CC1c2ccccc2CCC1(C)C
InChIInChI=1S/C13H18.C2H6/c1-10-12-7-5-4-6-11(12)8-9-13(10,2)3;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3
InChIKeyMFHVBYMNIMUCRR-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.79
Rot. Bonds

About ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene

ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene (PubChem CID 144627075) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Nameethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene
PubChem CID144627075
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Nameethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene
SMILESCC.CC1c2ccccc2CCC1(C)C
InChIInChI=1S/C13H18.C2H6/c1-10-12-7-5-4-6-11(12)8-9-13(10,2)3;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3
InChIKeyMFHVBYMNIMUCRR-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxolan-3-amine
CID 82726246
(2R)-2-methyl-1-(2,2,3-trimethylcyclopropyl)-1,2,3,4-tetrahydronaphthalene
CID 163627308
2-(difluoromethyl)-1-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 150568467
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine
CID 83010508
2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene
CID 102018319
N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 113480827
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine
CID 115532055
2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329802
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 114544136

Frequently Asked Questions

What is the IUPAC name of ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene?
The IUPAC name of ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene (CID 144627075) is ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene?
The canonical SMILES for ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene is CC.CC1c2ccccc2CCC1(C)C.
What is the InChIKey of ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene?
The InChIKey is MFHVBYMNIMUCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C2H6/c1-10-12-7-5-4-6-11(12)8-9-13(10,2)3;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3.
What are the key properties of ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene?
ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene has a molecular weight of 204.36 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 144627075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).