(6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol

C21H30O3 — CID 163005288

IUPAC(6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol
SMILESCC(=CCCc1ccoc1)C[C@@H](O)C[C@@H](C)CCCc1ccoc1
InChIInChI=1S/C21H30O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,15-16,18,21-22H,3-4,6-8,13-14H2,1-2H3/t18-,21+/m0/s1
InChIKeySFDYMPBPKHWFDV-GHTZIAJQSA-N
MW330.47 g/mol
LogP5.55
Rot. Bonds11

About (6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol

(6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol (PubChem CID 163005288) has the molecular formula C21H30O3 and a molecular weight of 330.47 g/mol. Its IUPAC name is (6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol.

Molecular Properties

Compound Name(6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol
PubChem CID163005288
Molecular FormulaC21H30O3
Molecular Weight330.47 g/mol
Exact Mass330.22
IUPAC Name(6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol
SMILESCC(=CCCc1ccoc1)C[C@@H](O)C[C@@H](C)CCCc1ccoc1
InChIInChI=1S/C21H30O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,15-16,18,21-22H,3-4,6-8,13-14H2,1-2H3/t18-,21+/m0/s1
InChIKeySFDYMPBPKHWFDV-GHTZIAJQSA-N
XLogP5.55
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[11-(furan-3-yl)-6-hydroxy-4,8-dimethylundec-3-enyl]-2-hydroxy-2H-furan-5-one
CID 74051391
(2S)-3-[(E,4R,6R)-11-(furan-3-yl)-6-hydroxy-4,8-dimethylundec-8-enyl]-2-hydroxy-2H-furan-5-one
CID 163190033
(1S,4R,5R)-4-[(E,6S,8S)-11-(furan-3-yl)-6-hydroxy-4,8-dimethylundec-3-enyl]-2,6-dioxabicyclo[3.1.0]hexan-3-one
CID 163186419
3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan
CID 123833340
(6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione
CID 11280638
(2R,4S)-7-(furan-3-yl)-1-[(2S,3R)-3-[2-(furan-3-yl)ethyl]-2-methyloxiran-2-yl]-4-methylheptan-2-ol
CID 70697981
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534
3-(4,8-dimethylpentadeca-3,7-dienyl)furan
CID 74218572
(1E,4E,6S,8E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-1,4,8-trien-6-ol
CID 638873
6-(furan-3-yl)-2-methylhex-1-en-3-ol
CID 121218914
3-(4,8,12,16-tetramethylhenicosa-3,7,11,15,19-pentaenyl)furan
CID 123177359
(3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one
CID 15625486

Frequently Asked Questions

What is the IUPAC name of (6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol?
The IUPAC name of (6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol (CID 163005288) is (6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol.
What is the SMILES notation for (6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol?
The canonical SMILES for (6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol is CC(=CCCc1ccoc1)C[C@@H](O)C[C@@H](C)CCCc1ccoc1.
What is the InChIKey of (6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol?
The InChIKey is SFDYMPBPKHWFDV-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H30O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,15-16,18,21-22H,3-4,6-8,13-14H2,1-2H3/t18-,21+/m0/s1.
What are the key properties of (6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol?
(6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol has a molecular weight of 330.47 g/mol, XLogP of 5.55, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol is sourced from PubChem (CID 163005288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).