(3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol

C30H48O — CID 10455056

IUPAC(3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol
SMILESC#C/C=C\CCCCCCCCCC/C=C\CCCCCCCCC[C@@H](O)/C=C\C#C
InChIInChI=1S/C30H48O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30(31)28-6-4-2/h1-2,5-7,18-19,28,30-31H,8-17,20-27,29H2/b7-5-,19-18-,28-6-/t30-/m0/s1
InChIKeyNTBHIGRIXXRCLB-SXXRKNQRSA-N
MW424.71 g/mol
LogP8.69
Rot. Bonds22

About (3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol

(3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol (PubChem CID 10455056) has the molecular formula C30H48O and a molecular weight of 424.71 g/mol. Its IUPAC name is (3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol.

Molecular Properties

Compound Name(3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol
PubChem CID10455056
Molecular FormulaC30H48O
Molecular Weight424.71 g/mol
Exact Mass424.37
IUPAC Name(3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol
SMILESC#C/C=C\CCCCCCCCCC/C=C\CCCCCCCCC[C@@H](O)/C=C\C#C
InChIInChI=1S/C30H48O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30(31)28-6-4-2/h1-2,5-7,18-19,28,30-31H,8-17,20-27,29H2/b7-5-,19-18-,28-6-/t30-/m0/s1
InChIKeyNTBHIGRIXXRCLB-SXXRKNQRSA-N
XLogP8.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 58.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol with MolForge

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Launch Full Analysis

Related Compounds

(Z)-dec-3-en-1-yn-5-ol
CID 146163105
(3E,13E)-hexadeca-3,13-dien-1,15-diyne
CID 101416454
(3R,4E,14R,20E,27Z,43Z)-hexatetraconta-4,20,27,43-tetraen-1,12,15,45-tetrayne-3,14,22-triol
CID 10556398
(3Z,9Z)-dodeca-3,9-dien-1,11-diyne
CID 11693943
icosa-7,15-diene-6,9-diol
CID 57175111
(3S,4E,14S)-hexatetraconta-4,21,27,43-tetraen-1,12,15,45-tetrayne-3,14-diol
CID 162957117
henicos-7-en-6-ol
CID 91409967
(3R,4E,26E,28R)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol
CID 162943596
(3R,4E,11E,17E,28E,30R)-dotriaconta-4,11,17,28-tetraen-1,31-diyne-3,30-diol
CID 53262797
(3S,4Z,15E,26E,28S)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol
CID 162943598
hentriacont-28-en-2,4,16,30-tetrayne-1,6-diol
CID 72971928
33,44-dihydroxyhexatetraconta-3,25,42-trien-1,31,34,45-tetrayn-19-one
CID 85211531

Frequently Asked Questions

What is the IUPAC name of (3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol?
The IUPAC name of (3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol (CID 10455056) is (3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol.
What is the SMILES notation for (3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol?
The canonical SMILES for (3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol is C#C/C=C\CCCCCCCCCC/C=C\CCCCCCCCC[C@@H](O)/C=C\C#C.
What is the InChIKey of (3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol?
The InChIKey is NTBHIGRIXXRCLB-SXXRKNQRSA-N. The full InChI is InChI=1S/C30H48O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30(31)28-6-4-2/h1-2,5-7,18-19,28,30-31H,8-17,20-27,29H2/b7-5-,19-18-,28-6-/t30-/m0/s1.
What are the key properties of (3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol?
(3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol has a molecular weight of 424.71 g/mol, XLogP of 8.69, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol is sourced from PubChem (CID 10455056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).