trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol

C19H40O3Si2 — CID 89143888

IUPACtrans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol
SMILESC=C1[C@H](CC(C)(C)[Si](C)(C)O)CC(O)C[C@H]1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C19H40O3Si2/c1-14-15(12-18(2,3)23(6,7)21)10-17(20)11-16(14)13-19(4,5)24(8,9)22/h15-17,20-22H,1,10-13H2,2-9H3/t15-,16-/m0/s1
InChIKeyNKIFAFLTTVATQV-HOTGVXAUSA-N
MW372.70 g/mol
LogP4.67
Rot. Bonds6

About trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol

trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol (PubChem CID 89143888) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol
PubChem CID89143888
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Nametrans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol
SMILESC=C1[C@H](CC(C)(C)[Si](C)(C)O)CC(O)C[C@H]1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C19H40O3Si2/c1-14-15(12-18(2,3)23(6,7)21)10-17(20)11-16(14)13-19(4,5)24(8,9)22/h15-17,20-22H,1,10-13H2,2-9H3/t15-,16-/m0/s1
InChIKeyNKIFAFLTTVATQV-HOTGVXAUSA-N
XLogP4.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol?
The IUPAC name of trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol (CID 89143888) is trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol?
The canonical SMILES for trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol is C=C1[C@H](CC(C)(C)[Si](C)(C)O)CC(O)C[C@H]1CC(C)(C)[Si](C)(C)O.
What is the InChIKey of trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol?
The InChIKey is NKIFAFLTTVATQV-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-14-15(12-18(2,3)23(6,7)21)10-17(20)11-16(14)13-19(4,5)24(8,9)22/h15-17,20-22H,1,10-13H2,2-9H3/t15-,16-/m0/s1.
What are the key properties of trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol?
trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol has a molecular weight of 372.70 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3S,5S)-3,5-bis[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 89143888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).