[(6R)-7-ethyl-6-methylnonan-4-yl]benzene

C18H30 — CID 153439336

IUPAC[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
SMILESCCCC(C[C@@H](C)C(CC)CC)c1ccccc1
InChIInChI=1S/C18H30/c1-5-11-18(17-12-9-8-10-13-17)14-15(4)16(6-2)7-3/h8-10,12-13,15-16,18H,5-7,11,14H2,1-4H3/t15-,18?/m1/s1
InChIKeyVPTRCIUMSNRMDG-NNJIEVJOSA-N
MW246.44 g/mol
LogP6.03
Rot. Bonds8

About [(6R)-7-ethyl-6-methylnonan-4-yl]benzene

[(6R)-7-ethyl-6-methylnonan-4-yl]benzene (PubChem CID 153439336) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is [(6R)-7-ethyl-6-methylnonan-4-yl]benzene.

Molecular Properties

Compound Name[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
PubChem CID153439336
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
SMILESCCCC(C[C@@H](C)C(CC)CC)c1ccccc1
InChIInChI=1S/C18H30/c1-5-11-18(17-12-9-8-10-13-17)14-15(4)16(6-2)7-3/h8-10,12-13,15-16,18H,5-7,11,14H2,1-4H3/t15-,18?/m1/s1
InChIKeyVPTRCIUMSNRMDG-NNJIEVJOSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(8-ethyl-7-methyltridecan-5-yl)benzene
CID 144851446
1,1-diphenylhexan-3-ylbenzene
CID 57087261
2-fluoroheptan-4-ylbenzene
CID 174378334
4,6-diphenylnonane-1,1-diol
CID 162161241
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
CID 119080873
1-chloropentan-2-ylbenzene
CID 524326
2-phenylpentan-1-amine
CID 14321247
(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene
CID 158364228
6,8-dimethoxyoctan-4-ylbenzene
CID 175195889
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
pentan-2-ylbenzene
CID 17627
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362

Frequently Asked Questions

What is the IUPAC name of [(6R)-7-ethyl-6-methylnonan-4-yl]benzene?
The IUPAC name of [(6R)-7-ethyl-6-methylnonan-4-yl]benzene (CID 153439336) is [(6R)-7-ethyl-6-methylnonan-4-yl]benzene.
What is the SMILES notation for [(6R)-7-ethyl-6-methylnonan-4-yl]benzene?
The canonical SMILES for [(6R)-7-ethyl-6-methylnonan-4-yl]benzene is CCCC(C[C@@H](C)C(CC)CC)c1ccccc1.
What is the InChIKey of [(6R)-7-ethyl-6-methylnonan-4-yl]benzene?
The InChIKey is VPTRCIUMSNRMDG-NNJIEVJOSA-N. The full InChI is InChI=1S/C18H30/c1-5-11-18(17-12-9-8-10-13-17)14-15(4)16(6-2)7-3/h8-10,12-13,15-16,18H,5-7,11,14H2,1-4H3/t15-,18?/m1/s1.
What are the key properties of [(6R)-7-ethyl-6-methylnonan-4-yl]benzene?
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene has a molecular weight of 246.44 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-7-ethyl-6-methylnonan-4-yl]benzene is sourced from PubChem (CID 153439336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).