hexahelicen-1-ol

C26H16O — CID 102137730

IUPAChexahelicen-1-ol
SMILESOc1cccc2ccc3ccc4ccc5ccc6ccccc6c5c4c3c12
InChIInChI=1S/C26H16O/c27-22-7-3-5-17-10-12-20-15-14-19-13-11-18-9-8-16-4-1-2-6-21(16)23(18)25(19)26(20)24(17)22/h1-15,27H
InChIKeySQBOJFZZZPWMEQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP7.16
Rot. Bonds

About hexahelicen-1-ol

hexahelicen-1-ol (PubChem CID 102137730) has the molecular formula C26H16O and a molecular weight of 344.41 g/mol. Its IUPAC name is hexahelicen-1-ol.

Molecular Properties

Compound Namehexahelicen-1-ol
PubChem CID102137730
Molecular FormulaC26H16O
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Namehexahelicen-1-ol
SMILESOc1cccc2ccc3ccc4ccc5ccc6ccccc6c5c4c3c12
InChIInChI=1S/C26H16O/c27-22-7-3-5-17-10-12-20-15-14-19-13-11-18-9-8-16-4-1-2-6-21(16)23(18)25(19)26(20)24(17)22/h1-15,27H
InChIKeySQBOJFZZZPWMEQ-UHFFFAOYSA-N
XLogP7.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexahelicen-1-ol?
The IUPAC name of hexahelicen-1-ol (CID 102137730) is hexahelicen-1-ol.
What is the SMILES notation for hexahelicen-1-ol?
The canonical SMILES for hexahelicen-1-ol is Oc1cccc2ccc3ccc4ccc5ccc6ccccc6c5c4c3c12.
What is the InChIKey of hexahelicen-1-ol?
The InChIKey is SQBOJFZZZPWMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O/c27-22-7-3-5-17-10-12-20-15-14-19-13-11-18-9-8-16-4-1-2-6-21(16)23(18)25(19)26(20)24(17)22/h1-15,27H.
What are the key properties of hexahelicen-1-ol?
hexahelicen-1-ol has a molecular weight of 344.41 g/mol, XLogP of 7.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexahelicen-1-ol is sourced from PubChem (CID 102137730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).