4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride

C11H22Cl2O — CID 174848578

IUPAC4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride
SMILESC=CCCC(O)(CC=C)C(C)C.Cl.Cl
InChIInChI=1S/C11H20O.2ClH/c1-5-7-9-11(12,8-6-2)10(3)4;;/h5-6,10,12H,1-2,7-9H2,3-4H3;2*1H
InChIKeyIJRSBCBKFIRVIO-UHFFFAOYSA-N
MW241.20 g/mol
LogP3.76
Rot. Bonds6

About 4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride

4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride (PubChem CID 174848578) has the molecular formula C11H22Cl2O and a molecular weight of 241.20 g/mol. Its IUPAC name is 4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride.

Molecular Properties

Compound Name4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride
PubChem CID174848578
Molecular FormulaC11H22Cl2O
Molecular Weight241.20 g/mol
Exact Mass240.10
IUPAC Name4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride
SMILESC=CCCC(O)(CC=C)C(C)C.Cl.Cl
InChIInChI=1S/C11H20O.2ClH/c1-5-7-9-11(12,8-6-2)10(3)4;;/h5-6,10,12H,1-2,7-9H2,3-4H3;2*1H
InChIKeyIJRSBCBKFIRVIO-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride?
The IUPAC name of 4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride (CID 174848578) is 4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride.
What is the SMILES notation for 4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride?
The canonical SMILES for 4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride is C=CCCC(O)(CC=C)C(C)C.Cl.Cl.
What is the InChIKey of 4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride?
The InChIKey is IJRSBCBKFIRVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O.2ClH/c1-5-7-9-11(12,8-6-2)10(3)4;;/h5-6,10,12H,1-2,7-9H2,3-4H3;2*1H.
What are the key properties of 4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride?
4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride has a molecular weight of 241.20 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride is sourced from PubChem (CID 174848578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).