(1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol

C16H30OSi2 — CID 15130694

IUPAC(1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol
SMILESC[Si](C)(C)/C=C1/CCC2(O)CC/C(=C\[Si](C)(C)C)C12
InChIInChI=1S/C16H30OSi2/c1-18(2,3)11-13-7-9-16(17)10-8-14(15(13)16)12-19(4,5)6/h11-12,15,17H,7-10H2,1-6H3/b13-11-,14-12+
InChIKeyDZBGSRDVBBQPAX-HEEUSZRZSA-N
MW294.59 g/mol
LogP4.53
Rot. Bonds2

About (1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol

(1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol (PubChem CID 15130694) has the molecular formula C16H30OSi2 and a molecular weight of 294.59 g/mol. Its IUPAC name is (1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol.

Molecular Properties

Compound Name(1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol
PubChem CID15130694
Molecular FormulaC16H30OSi2
Molecular Weight294.59 g/mol
Exact Mass294.18
IUPAC Name(1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol
SMILESC[Si](C)(C)/C=C1/CCC2(O)CC/C(=C\[Si](C)(C)C)C12
InChIInChI=1S/C16H30OSi2/c1-18(2,3)11-13-7-9-16(17)10-8-14(15(13)16)12-19(4,5)6/h11-12,15,17H,7-10H2,1-6H3/b13-11-,14-12+
InChIKeyDZBGSRDVBBQPAX-HEEUSZRZSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.59
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol?
The IUPAC name of (1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol (CID 15130694) is (1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol.
What is the SMILES notation for (1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol?
The canonical SMILES for (1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol is C[Si](C)(C)/C=C1/CCC2(O)CC/C(=C\[Si](C)(C)C)C12.
What is the InChIKey of (1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol?
The InChIKey is DZBGSRDVBBQPAX-HEEUSZRZSA-N. The full InChI is InChI=1S/C16H30OSi2/c1-18(2,3)11-13-7-9-16(17)10-8-14(15(13)16)12-19(4,5)6/h11-12,15,17H,7-10H2,1-6H3/b13-11-,14-12+.
What are the key properties of (1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol?
(1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol has a molecular weight of 294.59 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol is sourced from PubChem (CID 15130694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).