(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium

C11H17ClOTi — CID 87659636

IUPAC(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium
SMILESCC1=C(C)C(C)(C)C(COCl)=C1C.[Ti]
InChIInChI=1S/C11H17ClO.Ti/c1-7-8(2)10(6-13-12)11(4,5)9(7)3;/h6H2,1-5H3;
InChIKeyVJSFBTGKDUGRTC-UHFFFAOYSA-N
MW248.58 g/mol
LogP3.85
Rot. Bonds2

About (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium

(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium (PubChem CID 87659636) has the molecular formula C11H17ClOTi and a molecular weight of 248.58 g/mol. Its IUPAC name is (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium.

Molecular Properties

Compound Name(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium
PubChem CID87659636
Molecular FormulaC11H17ClOTi
Molecular Weight248.58 g/mol
Exact Mass248.04
IUPAC Name(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium
SMILESCC1=C(C)C(C)(C)C(COCl)=C1C.[Ti]
InChIInChI=1S/C11H17ClO.Ti/c1-7-8(2)10(6-13-12)11(4,5)9(7)3;/h6H2,1-5H3;
InChIKeyVJSFBTGKDUGRTC-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.58
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium?
The IUPAC name of (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium (CID 87659636) is (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium.
What is the SMILES notation for (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium?
The canonical SMILES for (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium is CC1=C(C)C(C)(C)C(COCl)=C1C.[Ti].
What is the InChIKey of (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium?
The InChIKey is VJSFBTGKDUGRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO.Ti/c1-7-8(2)10(6-13-12)11(4,5)9(7)3;/h6H2,1-5H3;.
What are the key properties of (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium?
(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium has a molecular weight of 248.58 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl hypochlorite;titanium is sourced from PubChem (CID 87659636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).