2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol

C19H34O2 — CID 5387832

IUPAC2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol
SMILESCCC(C)CC(C)CC(C)/C=C(\C)C1=C(C)CC(C)(O)O1
InChIInChI=1S/C19H34O2/c1-8-13(2)9-14(3)10-15(4)11-16(5)18-17(6)12-19(7,20)21-18/h11,13-15,20H,8-10,12H2,1-7H3/b16-11+
InChIKeyHBTWRDZVMBFOOH-LFIBNONCSA-N
MW294.48 g/mol
LogP5.43
Rot. Bonds7

About 2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol

2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol (PubChem CID 5387832) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol
PubChem CID5387832
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol
SMILESCCC(C)CC(C)CC(C)/C=C(\C)C1=C(C)CC(C)(O)O1
InChIInChI=1S/C19H34O2/c1-8-13(2)9-14(3)10-15(4)11-16(5)18-17(6)12-19(7,20)21-18/h11,13-15,20H,8-10,12H2,1-7H3/b16-11+
InChIKeyHBTWRDZVMBFOOH-LFIBNONCSA-N
XLogP5.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol?
The IUPAC name of 2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol (CID 5387832) is 2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol.
What is the SMILES notation for 2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol?
The canonical SMILES for 2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol is CCC(C)CC(C)CC(C)/C=C(\C)C1=C(C)CC(C)(O)O1.
What is the InChIKey of 2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol?
The InChIKey is HBTWRDZVMBFOOH-LFIBNONCSA-N. The full InChI is InChI=1S/C19H34O2/c1-8-13(2)9-14(3)10-15(4)11-16(5)18-17(6)12-19(7,20)21-18/h11,13-15,20H,8-10,12H2,1-7H3/b16-11+.
What are the key properties of 2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol?
2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol has a molecular weight of 294.48 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(E)-4,6,8-trimethyldec-2-en-2-yl]-3H-furan-2-ol is sourced from PubChem (CID 5387832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).