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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Related Compounds

(4S)-4-propan-2-ylhept-1-en-4-ol
CID 59911380
(4S)-4-propan-2-yloct-7-en-4-ol
CID 59911272
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
methyl 3-hydroxy-3-propan-2-ylhex-5-enedithioate
CID 102498194
4-methoxy-4-propan-2-ylocta-1,7-diene
CID 23385043
4-propyloct-7-ene-3,4-diol
CID 57028437
3-amino-2-methylhex-5-en-3-ol
CID 87728442
5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol
CID 10774684
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
2-methyl-2-(propan-2-ylamino)hex-5-enenitrile
CID 104655874
5-methoxy-5,6-dimethylhept-1-ene
CID 23385174
1-amino-2-methylpent-4-en-2-ol;hydrochloride
CID 134542347

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).