(2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene

C16H22O — CID 175701230

IUPAC(2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene
SMILESCCCCCOc1ccc2c(c1)C[C@H](C)C=C2
InChIInChI=1S/C16H22O/c1-3-4-5-10-17-16-9-8-14-7-6-13(2)11-15(14)12-16/h6-9,12-13H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyXZOXGJYDFYKVGK-CYBMUJFWSA-N
MW230.35 g/mol
LogP4.46
Rot. Bonds5

About (2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene

(2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene (PubChem CID 175701230) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name(2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene
PubChem CID175701230
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene
SMILESCCCCCOc1ccc2c(c1)C[C@H](C)C=C2
InChIInChI=1S/C16H22O/c1-3-4-5-10-17-16-9-8-14-7-6-13(2)11-15(14)12-16/h6-9,12-13H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyXZOXGJYDFYKVGK-CYBMUJFWSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-7-(4,4,4-trifluorobutoxy)-1,2-dihydronaphthalene
CID 155755695
4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158325360
6-propoxy-1H-indene
CID 19751756
1,4-dipentoxybenzene
CID 18314717
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
2-pentoxy-9,10-dihydrophenanthrene
CID 143490734
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene
CID 163936783
2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine
CID 71030229
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-[[(3R)-6-butoxy-3-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carbonitrile
CID 139435137

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene?
The IUPAC name of (2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene (CID 175701230) is (2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene.
What is the SMILES notation for (2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene?
The canonical SMILES for (2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene is CCCCCOc1ccc2c(c1)C[C@H](C)C=C2.
What is the InChIKey of (2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene?
The InChIKey is XZOXGJYDFYKVGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22O/c1-3-4-5-10-17-16-9-8-14-7-6-13(2)11-15(14)12-16/h6-9,12-13H,3-5,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene?
(2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene has a molecular weight of 230.35 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 175701230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).