1-ethenoxy-4-(6-methylheptyl)benzene

C16H24O — CID 67713493

IUPAC1-ethenoxy-4-(6-methylheptyl)benzene
SMILESC=COc1ccc(CCCCCC(C)C)cc1
InChIInChI=1S/C16H24O/c1-4-17-16-12-10-15(11-13-16)9-7-5-6-8-14(2)3/h4,10-14H,1,5-9H2,2-3H3
InChIKeyUDHVRYINGJNBTN-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.97
Rot. Bonds8

About 1-ethenoxy-4-(6-methylheptyl)benzene

1-ethenoxy-4-(6-methylheptyl)benzene (PubChem CID 67713493) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-ethenoxy-4-(6-methylheptyl)benzene.

Molecular Properties

Compound Name1-ethenoxy-4-(6-methylheptyl)benzene
PubChem CID67713493
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-ethenoxy-4-(6-methylheptyl)benzene
SMILESC=COc1ccc(CCCCCC(C)C)cc1
InChIInChI=1S/C16H24O/c1-4-17-16-12-10-15(11-13-16)9-7-5-6-8-14(2)3/h4,10-14H,1,5-9H2,2-3H3
InChIKeyUDHVRYINGJNBTN-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-4-ethenoxybenzene
CID 174857999
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
1,4-bis(8-methylnonyl)benzene;phosphorous acid
CID 175244550
1-(6-methylheptyl)-4-(2-methylpropyl)benzene
CID 140836779
4-(7-methyloctyl)benzaldehyde
CID 173431651
bis[4-[4-(6-methylheptyl)phenyl]phenyl] carbonate
CID 141037858
1-ethenoxy-4-(2-methoxyethyl)benzene
CID 66366359
1-(6-fluoroheptyl)-4-(4-prop-2-enoxyphenyl)benzene
CID 67636516
1,4-bis(ethenoxy)benzene;ethane
CID 145326219
bis[4-(8-methylnonyl)phenyl] benzene-1,3-dicarboxylate
CID 172795695
4-(6-methylheptyl)benzoic acid
CID 70349425

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-4-(6-methylheptyl)benzene?
The IUPAC name of 1-ethenoxy-4-(6-methylheptyl)benzene (CID 67713493) is 1-ethenoxy-4-(6-methylheptyl)benzene.
What is the SMILES notation for 1-ethenoxy-4-(6-methylheptyl)benzene?
The canonical SMILES for 1-ethenoxy-4-(6-methylheptyl)benzene is C=COc1ccc(CCCCCC(C)C)cc1.
What is the InChIKey of 1-ethenoxy-4-(6-methylheptyl)benzene?
The InChIKey is UDHVRYINGJNBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-4-17-16-12-10-15(11-13-16)9-7-5-6-8-14(2)3/h4,10-14H,1,5-9H2,2-3H3.
What are the key properties of 1-ethenoxy-4-(6-methylheptyl)benzene?
1-ethenoxy-4-(6-methylheptyl)benzene has a molecular weight of 232.37 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4-(6-methylheptyl)benzene is sourced from PubChem (CID 67713493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).