(3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol

C18H32O3 — CID 139586788

IUPAC(3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
SMILESC=C[C@](C)(O)CCC=C(C)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C18H32O3/c1-8-18(7,19)13-9-10-14(2)11-12-15-16(3,4)21-17(5,6)20-15/h8,10,15,19H,1,9,11-13H2,2-7H3/t15?,18-/m0/s1
InChIKeyPMQKDUOLNIZGFG-PKHIMPSTSA-N
MW296.45 g/mol
LogP4.36
Rot. Bonds7

About (3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol

(3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol (PubChem CID 139586788) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol.

Molecular Properties

Compound Name(3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
PubChem CID139586788
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
SMILESC=C[C@](C)(O)CCC=C(C)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C18H32O3/c1-8-18(7,19)13-9-10-14(2)11-12-15-16(3,4)21-17(5,6)20-15/h8,10,15,19H,1,9,11-13H2,2-7H3/t15?,18-/m0/s1
InChIKeyPMQKDUOLNIZGFG-PKHIMPSTSA-N
XLogP4.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.36
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 (3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol?
The IUPAC name of (3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol (CID 139586788) is (3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol.
What is the SMILES notation for (3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol?
The canonical SMILES for (3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol is C=C[C@](C)(O)CCC=C(C)CCC1OC(C)(C)OC1(C)C.
What is the InChIKey of (3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol?
The InChIKey is PMQKDUOLNIZGFG-PKHIMPSTSA-N. The full InChI is InChI=1S/C18H32O3/c1-8-18(7,19)13-9-10-14(2)11-12-15-16(3,4)21-17(5,6)20-15/h8,10,15,19H,1,9,11-13H2,2-7H3/t15?,18-/m0/s1.
What are the key properties of (3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol?
(3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol has a molecular weight of 296.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol is sourced from PubChem (CID 139586788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).