4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol

C16H28O3 — CID 148807260

IUPAC4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol
SMILESCCC1C=CC(OC(CC)(CC)CC(O)CO)=CC1
InChIInChI=1S/C16H28O3/c1-4-13-7-9-15(10-8-13)19-16(5-2,6-3)11-14(18)12-17/h7,9-10,13-14,17-18H,4-6,8,11-12H2,1-3H3
InChIKeyOPFBCDIBPYTTSX-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.18
Rot. Bonds8

About 4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol

4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol (PubChem CID 148807260) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol.

Molecular Properties

Compound Name4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol
PubChem CID148807260
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol
SMILESCCC1C=CC(OC(CC)(CC)CC(O)CO)=CC1
InChIInChI=1S/C16H28O3/c1-4-13-7-9-15(10-8-13)19-16(5-2,6-3)11-14(18)12-17/h7,9-10,13-14,17-18H,4-6,8,11-12H2,1-3H3
InChIKeyOPFBCDIBPYTTSX-UHFFFAOYSA-N
XLogP3.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylbutan-2-yloxy)-5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene
CID 123776868
[4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene
CID 130196435
(4-ethylcyclohexa-1,5-dien-1-yl)benzene
CID 143614396
methyl N-[1-[4-[hydroxy(methoxy)phosphoryl]oxycyclohexa-2,4-dien-1-yl]-4,4-dimethyl-3-oxopentan-2-yl]carbamate
CID 91302183
2-ethyl-2-[[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]carbamoylamino]butanoic acid
CID 162607646
N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
CID 146639726
3-(4-ethoxycyclohexa-2,4-dien-1-yl)propanal
CID 91547732
2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 90696568
2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 130246395
tert-butyl 3-[4-[2-(dimethylamino)ethyl]cyclohexa-1,5-dien-1-yl]oxy-2-hydroxypropanoate
CID 141088009
4,4,4-triethoxybutane-1,2-diol
CID 88660203
(Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine
CID 154693277

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol?
The IUPAC name of 4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol (CID 148807260) is 4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol.
What is the SMILES notation for 4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol?
The canonical SMILES for 4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol is CCC1C=CC(OC(CC)(CC)CC(O)CO)=CC1.
What is the InChIKey of 4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol?
The InChIKey is OPFBCDIBPYTTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-4-13-7-9-15(10-8-13)19-16(5-2,6-3)11-14(18)12-17/h7,9-10,13-14,17-18H,4-6,8,11-12H2,1-3H3.
What are the key properties of 4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol?
4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol has a molecular weight of 268.40 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol is sourced from PubChem (CID 148807260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).