ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C16H26 — CID 144672016

IUPACethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC.Cc1ccc(C(C)C)c2c1CCCC2
InChIInChI=1S/C14H20.C2H6/c1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-2/h8-10H,4-7H2,1-3H3;1-2H3
InChIKeyBBMPFCVHLNQRJT-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.02
Rot. Bonds1

About ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene

ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 144672016) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID144672016
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Nameethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC.Cc1ccc(C(C)C)c2c1CCCC2
InChIInChI=1S/C14H20.C2H6/c1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-2/h8-10H,4-7H2,1-3H3;1-2H3
InChIKeyBBMPFCVHLNQRJT-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 117282016
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CID 144873896
5-methyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 59613678
(1R)-1-(7-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-amine
CID 130655075
ethane;4-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one
CID 145358935
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-amine
CID 117292036
1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene
CID 142179547
7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol
CID 170001118
3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;ethane
CID 91587373
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
7-methyl-4-propan-2-yl-3H-indol-2-amine
CID 130377983

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 144672016) is ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC.Cc1ccc(C(C)C)c2c1CCCC2.
What is the InChIKey of ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BBMPFCVHLNQRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C2H6/c1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-2/h8-10H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 218.38 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 144672016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).