[1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol

C18H28O — CID 51041115

IUPAC[1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCc1ccc2c(c1CCC(C)C)CCCC2(C)CO
InChIInChI=1S/C18H28O/c1-13(2)7-9-15-14(3)8-10-17-16(15)6-5-11-18(17,4)12-19/h8,10,13,19H,5-7,9,11-12H2,1-4H3
InChIKeyDKAXYJLPBDVEHE-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.17
Rot. Bonds4

About [1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol

[1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 51041115) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is [1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID51041115
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name[1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCc1ccc2c(c1CCC(C)C)CCCC2(C)CO
InChIInChI=1S/C18H28O/c1-13(2)7-9-15-14(3)8-10-17-16(15)6-5-11-18(17,4)12-19/h8,10,13,19H,5-7,9,11-12H2,1-4H3
InChIKeyDKAXYJLPBDVEHE-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene
CID 177395531
1,3-dimethyl-2-(3-methylbutyl)benzene
CID 59833052
bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 161269898
(1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl)methanol
CID 168723729
2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid
CID 117332749
[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol
CID 154608477
ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate
CID 57318910
1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 105446199
3-bromo-4-methyl-2-(3-methylbutyl)benzenesulfonic acid
CID 175532559
3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene
CID 177102559
3-methyl-2-(4-methylpentyl)phenol
CID 23036638
(1-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 105459158

Frequently Asked Questions

What is the IUPAC name of [1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 51041115) is [1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol is Cc1ccc2c(c1CCC(C)C)CCCC2(C)CO.
What is the InChIKey of [1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is DKAXYJLPBDVEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-13(2)7-9-15-14(3)8-10-17-16(15)6-5-11-18(17,4)12-19/h8,10,13,19H,5-7,9,11-12H2,1-4H3.
What are the key properties of [1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 260.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 51041115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).