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

C13H18 — CID 59978113

IUPAC3,3,8-trimethyl-2,4-dihydro-1H-naphthalene
SMILESCc1cccc2c1CCC(C)(C)C2
InChIInChI=1S/C13H18/c1-10-5-4-6-11-9-13(2,3)8-7-12(10)11/h4-6H,7-9H2,1-3H3
InChIKeyBXMCFCJVZKRMQW-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.51
Rot. Bonds

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

3,3,8-trimethyl-2,4-dihydro-1H-naphthalene (PubChem CID 59978113) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3,3,8-trimethyl-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name3,3,8-trimethyl-2,4-dihydro-1H-naphthalene
PubChem CID59978113
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name3,3,8-trimethyl-2,4-dihydro-1H-naphthalene
SMILESCc1cccc2c1CCC(C)(C)C2
InChIInChI=1S/C13H18/c1-10-5-4-6-11-9-13(2,3)8-7-12(10)11/h4-6H,7-9H2,1-3H3
InChIKeyBXMCFCJVZKRMQW-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-methoxy-5-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 105459152
2-amino-5-methyl-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 90713435
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
2-isocyanato-2,4-dimethyl-1,3-dihydroindene
CID 115017299
8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
CID 147775008
5-methyl-3,4-dihydro-1H-isothiochromene
CID 91411706
2-fluoro-8-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 105461592
2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
CID 105494487
2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
CID 105475613
(5-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 84722148
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
ethane;2,7,7-trimethyl-4-(2-methylphenoxy)-6,8-dihydro-5H-quinazoline
CID 163248758

Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyl-2,4-dihydro-1H-naphthalene?
The IUPAC name of 3,3,8-trimethyl-2,4-dihydro-1H-naphthalene (CID 59978113) is 3,3,8-trimethyl-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for 3,3,8-trimethyl-2,4-dihydro-1H-naphthalene?
The canonical SMILES for 3,3,8-trimethyl-2,4-dihydro-1H-naphthalene is Cc1cccc2c1CCC(C)(C)C2.
What is the InChIKey of 3,3,8-trimethyl-2,4-dihydro-1H-naphthalene?
The InChIKey is BXMCFCJVZKRMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-10-5-4-6-11-9-13(2,3)8-7-12(10)11/h4-6H,7-9H2,1-3H3.
What are the key properties of 3,3,8-trimethyl-2,4-dihydro-1H-naphthalene?
3,3,8-trimethyl-2,4-dihydro-1H-naphthalene has a molecular weight of 174.29 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trimethyl-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 59978113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).