1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene

C35H52O2 — CID 132933254

IUPAC1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
SMILESC=CCCCCCCCCCOc1ccc(Cc2ccc(OCCCCCCCCCC=C)cc2)cc1
InChIInChI=1S/C35H52O2/c1-3-5-7-9-11-13-15-17-19-29-36-34-25-21-32(22-26-34)31-33-23-27-35(28-24-33)37-30-20-18-16-14-12-10-8-6-4-2/h3-4,21-28H,1-2,5-20,29-31H2
InChIKeyADVFFFMCZAWADA-UHFFFAOYSA-N
MW504.80 g/mol
LogP10.65
Rot. Bonds24

About 1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene

1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene (PubChem CID 132933254) has the molecular formula C35H52O2 and a molecular weight of 504.80 g/mol. Its IUPAC name is 1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
PubChem CID132933254
Molecular FormulaC35H52O2
Molecular Weight504.80 g/mol
Exact Mass504.40
IUPAC Name1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
SMILESC=CCCCCCCCCCOc1ccc(Cc2ccc(OCCCCCCCCCC=C)cc2)cc1
InChIInChI=1S/C35H52O2/c1-3-5-7-9-11-13-15-17-19-29-36-34-25-21-32(22-26-34)31-33-23-27-35(28-24-33)37-30-20-18-16-14-12-10-8-6-4-2/h3-4,21-28H,1-2,5-20,29-31H2
InChIKeyADVFFFMCZAWADA-UHFFFAOYSA-N
XLogP10.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.80
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
CID 59168518
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
(4-non-8-enoxyphenyl)boronic acid
CID 142423597
1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
CID 22082109
3,5-bis(4-undec-10-enoxyphenyl)benzaldehyde
CID 102474145
4-undec-10-enoxybenzoate
CID 7009276
1-(4-hept-6-enoxyphenyl)ethanamine
CID 107006007
N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine
CID 113322961
1-(4-hept-6-enoxyphenyl)propan-1-amine
CID 107006008

Frequently Asked Questions

What is the IUPAC name of 1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene?
The IUPAC name of 1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene (CID 132933254) is 1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene?
The canonical SMILES for 1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene is C=CCCCCCCCCCOc1ccc(Cc2ccc(OCCCCCCCCCC=C)cc2)cc1.
What is the InChIKey of 1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene?
The InChIKey is ADVFFFMCZAWADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52O2/c1-3-5-7-9-11-13-15-17-19-29-36-34-25-21-32(22-26-34)31-33-23-27-35(28-24-33)37-30-20-18-16-14-12-10-8-6-4-2/h3-4,21-28H,1-2,5-20,29-31H2.
What are the key properties of 1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene?
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene has a molecular weight of 504.80 g/mol, XLogP of 10.65, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene is sourced from PubChem (CID 132933254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).