1-[(2R)-butan-2-yl]naphthalene;pentane

C19H28 — CID 142150914

IUPAC1-[(2R)-butan-2-yl]naphthalene;pentane
SMILESCCCCC.CC[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C14H16.C5H12/c1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;1-3-5-4-2/h4-11H,3H2,1-2H3;3-5H2,1-2H3/t11-;/m1./s1
InChIKeyOZTADYCQKGWIFH-RFVHGSKJSA-N
MW256.43 g/mol
LogP6.55
Rot. Bonds4

About 1-[(2R)-butan-2-yl]naphthalene;pentane

1-[(2R)-butan-2-yl]naphthalene;pentane (PubChem CID 142150914) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]naphthalene;pentane.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]naphthalene;pentane
PubChem CID142150914
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1-[(2R)-butan-2-yl]naphthalene;pentane
SMILESCCCCC.CC[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C14H16.C5H12/c1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;1-3-5-4-2/h4-11H,3H2,1-2H3;3-5H2,1-2H3/t11-;/m1./s1
InChIKeyOZTADYCQKGWIFH-RFVHGSKJSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 157253186
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CID 22974645
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CID 69118835
1-tetracosan-9-ylnaphthalene
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1-decan-5-ylnaphthalene
CID 14029915
1-hexadecan-6-ylnaphthalene
CID 14029925
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
1-(4-bromopentan-2-yl)naphthalene
CID 64720152
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
4-butan-2-ylpyrene
CID 155644437
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]naphthalene;pentane?
The IUPAC name of 1-[(2R)-butan-2-yl]naphthalene;pentane (CID 142150914) is 1-[(2R)-butan-2-yl]naphthalene;pentane.
What is the SMILES notation for 1-[(2R)-butan-2-yl]naphthalene;pentane?
The canonical SMILES for 1-[(2R)-butan-2-yl]naphthalene;pentane is CCCCC.CC[C@@H](C)c1cccc2ccccc12.
What is the InChIKey of 1-[(2R)-butan-2-yl]naphthalene;pentane?
The InChIKey is OZTADYCQKGWIFH-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H16.C5H12/c1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;1-3-5-4-2/h4-11H,3H2,1-2H3;3-5H2,1-2H3/t11-;/m1./s1.
What are the key properties of 1-[(2R)-butan-2-yl]naphthalene;pentane?
1-[(2R)-butan-2-yl]naphthalene;pentane has a molecular weight of 256.43 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]naphthalene;pentane is sourced from PubChem (CID 142150914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).