2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol

C20H36O3 — CID 75296788

IUPAC2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol
SMILESCC(=CCCC1(C)OCCO1)CCCC(C)=CC(O)CC(C)C
InChIInChI=1S/C20H36O3/c1-16(2)14-19(21)15-18(4)9-6-8-17(3)10-7-11-20(5)22-12-13-23-20/h10,15-16,19,21H,6-9,11-14H2,1-5H3
InChIKeyXBEAKQYTHLRTMG-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.00
Rot. Bonds10

About 2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol

2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol (PubChem CID 75296788) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol.

Molecular Properties

Compound Name2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol
PubChem CID75296788
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Name2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol
SMILESCC(=CCCC1(C)OCCO1)CCCC(C)=CC(O)CC(C)C
InChIInChI=1S/C20H36O3/c1-16(2)14-19(21)15-18(4)9-6-8-17(3)10-7-11-20(5)22-12-13-23-20/h10,15-16,19,21H,6-9,11-14H2,1-5H3
InChIKeyXBEAKQYTHLRTMG-UHFFFAOYSA-N
XLogP5.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 55.00
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

(5E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol
CID 49797963
3,7-Dimethyl-9-(-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
CID 139586788
(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 11107412
(E,4R,5R)-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ene-1,5-diol
CID 46849798
(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol
CID 101696243
(E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol
CID 134892497
(2Z)-2-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 135042599
(E,1R)-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3,6-dimethylhept-2-en-1-ol
CID 139258191
(E,1S)-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3,6-dimethylhept-2-en-1-ol
CID 139258192
3,7-Dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
CID 162787734
(E)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 6364641
(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol
CID 10559466

Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol?
The IUPAC name of 2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol (CID 75296788) is 2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol.
What is the SMILES notation for 2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol?
The canonical SMILES for 2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol is CC(=CCCC1(C)OCCO1)CCCC(C)=CC(O)CC(C)C.
What is the InChIKey of 2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol?
The InChIKey is XBEAKQYTHLRTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3/c1-16(2)14-19(21)15-18(4)9-6-8-17(3)10-7-11-20(5)22-12-13-23-20/h10,15-16,19,21H,6-9,11-14H2,1-5H3.
What are the key properties of 2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol?
2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol has a molecular weight of 324.51 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol is sourced from PubChem (CID 75296788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).