10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane

C34H59BrO6P4 — CID 157178006

IUPAC10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane
SMILESO=Cc1ccc(O)cc1.O=Cc1ccc(OCCCCCCCCCCO)cc1.OCCCCCCCCCCBr.PP(P)P
InChIInChI=1S/C17H26O3.C10H21BrO.C7H6O2.H6P4/c18-13-7-5-3-1-2-4-6-8-14-20-17-11-9-16(15-19)10-12-17;11-9-7-5-3-1-2-4-6-8-10-12;8-5-6-1-3-7(9)4-2-6;1-4(2)3/h9-12,15,18H,1-8,13-14H2;12H,1-10H2;1-5,9H;1-3H2
InChIKeyAOFZGFOBTSFNIA-UHFFFAOYSA-N
MW767.64 g/mol
LogP10.53
Rot. Bonds22

About 10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane

10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane (PubChem CID 157178006) has the molecular formula C34H59BrO6P4 and a molecular weight of 767.64 g/mol. Its IUPAC name is 10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane.

Molecular Properties

Compound Name10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane
PubChem CID157178006
Molecular FormulaC34H59BrO6P4
Molecular Weight767.64 g/mol
Exact Mass766.24
IUPAC Name10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane
SMILESO=Cc1ccc(O)cc1.O=Cc1ccc(OCCCCCCCCCCO)cc1.OCCCCCCCCCCBr.PP(P)P
InChIInChI=1S/C17H26O3.C10H21BrO.C7H6O2.H6P4/c18-13-7-5-3-1-2-4-6-8-14-20-17-11-9-16(15-19)10-12-17;11-9-7-5-3-1-2-4-6-8-10-12;8-5-6-1-3-7(9)4-2-6;1-4(2)3/h9-12,15,18H,1-8,13-14H2;12H,1-10H2;1-5,9H;1-3H2
InChIKeyAOFZGFOBTSFNIA-UHFFFAOYSA-N
XLogP10.53
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.64
LogP ≤ 510.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromobutoxy)benzaldehyde;4-hydroxybenzaldehyde
CID 162220767
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-(10-bromodecoxy)benzaldehyde
CID 71345265
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-chlorobutan-1-ol;4-(4-formylphenoxy)butyl methanesulfonate;4-hydroxybenzaldehyde;4-(4-hydroxybutoxy)benzaldehyde
CID 163758326
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621
ethanol;4-octadecoxybenzaldehyde
CID 158692714
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
(4-ethoxyphenyl)methyl 4-bromobutanoate;(4-ethoxyphenyl)methyl 4-(4-formylphenoxy)butanoate;4-hydroxybenzaldehyde
CID 158921526

Frequently Asked Questions

What is the IUPAC name of 10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane?
The IUPAC name of 10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane (CID 157178006) is 10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane.
What is the SMILES notation for 10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane?
The canonical SMILES for 10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane is O=Cc1ccc(O)cc1.O=Cc1ccc(OCCCCCCCCCCO)cc1.OCCCCCCCCCCBr.PP(P)P.
What is the InChIKey of 10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane?
The InChIKey is AOFZGFOBTSFNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3.C10H21BrO.C7H6O2.H6P4/c18-13-7-5-3-1-2-4-6-8-14-20-17-11-9-16(15-19)10-12-17;11-9-7-5-3-1-2-4-6-8-10-12;8-5-6-1-3-7(9)4-2-6;1-4(2)3/h9-12,15,18H,1-8,13-14H2;12H,1-10H2;1-5,9H;1-3H2.
What are the key properties of 10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane?
10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane has a molecular weight of 767.64 g/mol, XLogP of 10.53, 22 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane is sourced from PubChem (CID 157178006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).