1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride

C18H27ClOTi-2 — CID 19973888

IUPAC1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride
SMILESCCCCCCO.C[C-](C1=CC=CC1)C1=CC=CC1.[Cl-].[Ti]
InChIInChI=1S/C12H13.C6H14O.ClH.Ti/c1-10(11-6-2-3-7-11)12-8-4-5-9-12;1-2-3-4-5-6-7;;/h2-6,8H,7,9H2,1H3;7H,2-6H2,1H3;1H;/q-1;;;/p-1
InChIKeyKZJWMLXFPWRTAD-UHFFFAOYSA-M
MW342.73 g/mol
LogP1.91
Rot. Bonds6

About 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride

1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride (PubChem CID 19973888) has the molecular formula C18H27ClOTi-2 and a molecular weight of 342.73 g/mol. Its IUPAC name is 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride.

Molecular Properties

Compound Name1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride
PubChem CID19973888
Molecular FormulaC18H27ClOTi-2
Molecular Weight342.73 g/mol
Exact Mass342.12
IUPAC Name1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride
SMILESCCCCCCO.C[C-](C1=CC=CC1)C1=CC=CC1.[Cl-].[Ti]
InChIInChI=1S/C12H13.C6H14O.ClH.Ti/c1-10(11-6-2-3-7-11)12-8-4-5-9-12;1-2-3-4-5-6-7;;/h2-6,8H,7,9H2,1H3;7H,2-6H2,1H3;1H;/q-1;;;/p-1
InChIKeyKZJWMLXFPWRTAD-UHFFFAOYSA-M
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride with MolForge

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Related Compounds

magnesium;hexan-1-ol;dichloride
CID 174624266
octan-1-ol;titanium;trihydrate
CID 87862444
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546
pentan-1-ol;yttrium
CID 154312100
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride?
The IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride (CID 19973888) is 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride.
What is the SMILES notation for 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride?
The canonical SMILES for 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride is CCCCCCO.C[C-](C1=CC=CC1)C1=CC=CC1.[Cl-].[Ti].
What is the InChIKey of 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride?
The InChIKey is KZJWMLXFPWRTAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13.C6H14O.ClH.Ti/c1-10(11-6-2-3-7-11)12-8-4-5-9-12;1-2-3-4-5-6-7;;/h2-6,8H,7,9H2,1H3;7H,2-6H2,1H3;1H;/q-1;;;/p-1.
What are the key properties of 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride?
1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride has a molecular weight of 342.73 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride is sourced from PubChem (CID 19973888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).