10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol

C26H44O2 — CID 144756784

IUPAC10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol
SMILESCCCC[C@H](C)C(C)/C=C/c1ccc(OCCCCCCCCCCO)cc1
InChIInChI=1S/C26H44O2/c1-4-5-14-23(2)24(3)15-16-25-17-19-26(20-18-25)28-22-13-11-9-7-6-8-10-12-21-27/h15-20,23-24,27H,4-14,21-22H2,1-3H3/b16-15+/t23-,24?/m0/s1
InChIKeyAHQKRGYNQKSAKY-ZFRPQTKASA-N
MW388.64 g/mol
LogP7.65
Rot. Bonds17

About 10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol

10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol (PubChem CID 144756784) has the molecular formula C26H44O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is 10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol.

Molecular Properties

Compound Name10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol
PubChem CID144756784
Molecular FormulaC26H44O2
Molecular Weight388.64 g/mol
Exact Mass388.33
IUPAC Name10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol
SMILESCCCC[C@H](C)C(C)/C=C/c1ccc(OCCCCCCCCCCO)cc1
InChIInChI=1S/C26H44O2/c1-4-5-14-23(2)24(3)15-16-25-17-19-26(20-18-25)28-22-13-11-9-7-6-8-10-12-21-27/h15-20,23-24,27H,4-14,21-22H2,1-3H3/b16-15+/t23-,24?/m0/s1
InChIKeyAHQKRGYNQKSAKY-ZFRPQTKASA-N
XLogP7.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 62227500
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[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]methanol
CID 10963487
6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol
CID 166905123
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
(E,2R,3S)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-ene-1,3-diol
CID 59561748
4-[2-[4-(6-hydroxyhexoxy)phenyl]ethenyl]benzonitrile
CID 139661077
3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid
CID 70144087

Frequently Asked Questions

What is the IUPAC name of 10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol?
The IUPAC name of 10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol (CID 144756784) is 10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol.
What is the SMILES notation for 10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol?
The canonical SMILES for 10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol is CCCC[C@H](C)C(C)/C=C/c1ccc(OCCCCCCCCCCO)cc1.
What is the InChIKey of 10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol?
The InChIKey is AHQKRGYNQKSAKY-ZFRPQTKASA-N. The full InChI is InChI=1S/C26H44O2/c1-4-5-14-23(2)24(3)15-16-25-17-19-26(20-18-25)28-22-13-11-9-7-6-8-10-12-21-27/h15-20,23-24,27H,4-14,21-22H2,1-3H3/b16-15+/t23-,24?/m0/s1.
What are the key properties of 10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol?
10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol has a molecular weight of 388.64 g/mol, XLogP of 7.65, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[(E,4S)-3,4-dimethyloct-1-enyl]phenoxy]decan-1-ol is sourced from PubChem (CID 144756784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).