(2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol

C18H36O2Si — CID 10267552

IUPAC(2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol
SMILESC/C=C(\C)[C@@H](O)CC/C=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-9-17(8)18(19)12-10-11-13-20-21(14(2)3,15(4)5)16(6)7/h9,11,13-16,18-19H,10,12H2,1-8H3/b13-11+,17-9+/t18-/m0/s1
InChIKeyDTWVUVWMCZWZDH-YPDSLFCDSA-N
MW312.57 g/mol
LogP5.80
Rot. Bonds9

About (2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol

(2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol (PubChem CID 10267552) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol.

Molecular Properties

Compound Name(2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol
PubChem CID10267552
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol
SMILESC/C=C(\C)[C@@H](O)CC/C=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-9-17(8)18(19)12-10-11-13-20-21(14(2)3,15(4)5)16(6)7/h9,11,13-16,18-19H,10,12H2,1-8H3/b13-11+,17-9+/t18-/m0/s1
InChIKeyDTWVUVWMCZWZDH-YPDSLFCDSA-N
XLogP5.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol?
The IUPAC name of (2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol (CID 10267552) is (2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol.
What is the SMILES notation for (2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol?
The canonical SMILES for (2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol is C/C=C(\C)[C@@H](O)CC/C=C/O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol?
The InChIKey is DTWVUVWMCZWZDH-YPDSLFCDSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-9-17(8)18(19)12-10-11-13-20-21(14(2)3,15(4)5)16(6)7/h9,11,13-16,18-19H,10,12H2,1-8H3/b13-11+,17-9+/t18-/m0/s1.
What are the key properties of (2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol?
(2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol has a molecular weight of 312.57 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol is sourced from PubChem (CID 10267552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).