(2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol

C17H28O3 — CID 21242274

IUPAC(2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol
SMILESC=C(C)C1(CC/C(C)=C/CC/C(C)=C/CO)OCCO1
InChIInChI=1S/C17H28O3/c1-14(2)17(19-12-13-20-17)10-8-15(3)6-5-7-16(4)9-11-18/h6,9,18H,1,5,7-8,10-13H2,2-4H3/b15-6+,16-9+
InChIKeyBZZGHEUGQTUWNS-OQZDINAVSA-N
MW280.41 g/mol
LogP3.75
Rot. Bonds8

About (2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol

(2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol (PubChem CID 21242274) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol
PubChem CID21242274
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol
SMILESC=C(C)C1(CC/C(C)=C/CC/C(C)=C/CO)OCCO1
InChIInChI=1S/C17H28O3/c1-14(2)17(19-12-13-20-17)10-8-15(3)6-5-7-16(4)9-11-18/h6,9,18H,1,5,7-8,10-13H2,2-4H3/b15-6+,16-9+
InChIKeyBZZGHEUGQTUWNS-OQZDINAVSA-N
XLogP3.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol (CID 21242274) is (2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol is C=C(C)C1(CC/C(C)=C/CC/C(C)=C/CO)OCCO1.
What is the InChIKey of (2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol?
The InChIKey is BZZGHEUGQTUWNS-OQZDINAVSA-N. The full InChI is InChI=1S/C17H28O3/c1-14(2)17(19-12-13-20-17)10-8-15(3)6-5-7-16(4)9-11-18/h6,9,18H,1,5,7-8,10-13H2,2-4H3/b15-6+,16-9+.
What are the key properties of (2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol?
(2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol has a molecular weight of 280.41 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol is sourced from PubChem (CID 21242274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).