ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene

C12H22O — CID 144799120

IUPACethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene
SMILESCC.CC1=CC=C(OC(C)C)CC1
InChIInChI=1S/C10H16O.C2H6/c1-8(2)11-10-6-4-9(3)5-7-10;1-2/h4,6,8H,5,7H2,1-3H3;1-2H3
InChIKeySRDGLQMLNGHFJM-UHFFFAOYSA-N
MW182.31 g/mol
LogP4.06
Rot. Bonds2

About ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene

ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 144799120) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene
PubChem CID144799120
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Nameethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene
SMILESCC.CC1=CC=C(OC(C)C)CC1
InChIInChI=1S/C10H16O.C2H6/c1-8(2)11-10-6-4-9(3)5-7-10;1-2/h4,6,8H,5,7H2,1-3H3;1-2H3
InChIKeySRDGLQMLNGHFJM-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane
CID 178166362
1-methyl-4-propoxycyclohexa-1,3-diene
CID 90360498
4-methyl-1-propan-2-yloxycyclohepta-1,3,5-triene
CID 171648958
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene
CID 163393623
ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine
CID 143366498
2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine
CID 91318573
1-methyl-4-pentan-2-ylcyclohexa-1,3-diene
CID 144780795
4-methyl-2-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,1-diol
CID 123837997
tert-butyl 2-methyl-4-propan-2-yloxycyclohexa-1,3-diene-1-carboxylate
CID 13162594
ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide
CID 142007361
1-methyl-4-[2,2,2-trifluoro-1-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 167017564

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene (CID 144799120) is ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene is CC.CC1=CC=C(OC(C)C)CC1.
What is the InChIKey of ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is SRDGLQMLNGHFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.C2H6/c1-8(2)11-10-6-4-9(3)5-7-10;1-2/h4,6,8H,5,7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene?
ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 182.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 144799120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).