CID 102285591

C30H53O4 — CID 102285591

IUPAC—
SMILESCCCCCCCCCCCCOc1cc(O)c(OCCCCCCCCCCCC)cc1[O]
InChIInChI=1S/C30H53O4/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-25-28(32)30(26-27(29)31)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,31H,3-24H2,1-2H3
InChIKeyRRXJRIAKRVAXNS-UHFFFAOYSA-N
MW477.75 g/mol
LogP10.14
Rot. Bonds24

About CID 102285591

CID 102285591 (PubChem CID 102285591) has the molecular formula C30H53O4 and a molecular weight of 477.75 g/mol.

Molecular Properties

Compound NameCID 102285591
PubChem CID102285591
Molecular FormulaC30H53O4
Molecular Weight477.75 g/mol
Exact Mass477.39
IUPAC Name—
SMILESCCCCCCCCCCCCOc1cc(O)c(OCCCCCCCCCCCC)cc1[O]
InChIInChI=1S/C30H53O4/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-25-28(32)30(26-27(29)31)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,31H,3-24H2,1-2H3
InChIKeyRRXJRIAKRVAXNS-UHFFFAOYSA-N
XLogP10.14
TPSA58.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.75
LogP ≤ 510.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3,6,7,10-tetrapentoxytriphenylene-2,11-diol
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7,15,22-tri(tetradecoxy)tetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne-6,14,23-triol
CID 177400113
3-hydroxy-4-octoxybenzaldehyde
CID 59691799
2-tridecoxyphenol
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acetic acid;3,6,7,10,11-pentapentoxytriphenylen-2-ol
CID 71318088
5-(1-aminoethyl)-2-heptoxyphenol
CID 67604172
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
4-methyl-2-tetradecoxyphenol
CID 19014152
9,22,23,36,37,50-hexadodecoxytridecacyclo[52.2.2.22,5.212,15.216,19.226,29.230,33.240,43.244,47.06,11.020,25.034,39.048,53]doheptaconta-1(56),2(72),3,5(71),6,8,10,12(70),13,15(69),16(68),17,19(67),20,22,24,26(66),27,29(65),30,32,34,36,38,40,42,44,46,48,50,52,54,57,59,61,63-hexatriacontaene-8,51-diol
CID 134982381
3,4-dihexoxynaphthalen-1-ol
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Frequently Asked Questions

What is the IUPAC name of CID 102285591?
The IUPAC name of CID 102285591 (CID 102285591) is not available.
What is the SMILES notation for CID 102285591?
The canonical SMILES for CID 102285591 is CCCCCCCCCCCCOc1cc(O)c(OCCCCCCCCCCCC)cc1[O].
What is the InChIKey of CID 102285591?
The InChIKey is RRXJRIAKRVAXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53O4/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-25-28(32)30(26-27(29)31)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,31H,3-24H2,1-2H3.
What are the key properties of CID 102285591?
CID 102285591 has a molecular weight of 477.75 g/mol, XLogP of 10.14, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102285591 is sourced from PubChem (CID 102285591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).