carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol

C20H34O5 — CID 167610195

IUPACcarbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol
SMILESCCC=C1CC(CO)C1(C)C.COC=C1CC(CO)C1(C)C.O=C=O
InChIInChI=1S/C10H18O.C9H16O2.CO2/c1-4-5-8-6-9(7-11)10(8,2)3;1-9(2)7(5-10)4-8(9)6-11-3;2-1-3/h5,9,11H,4,6-7H2,1-3H3;6-7,10H,4-5H2,1-3H3;
InChIKeyKXXPFOMUQUWSQH-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.33
Rot. Bonds4

About carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol

carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol (PubChem CID 167610195) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol.

Molecular Properties

Compound Namecarbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol
PubChem CID167610195
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Namecarbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol
SMILESCCC=C1CC(CO)C1(C)C.COC=C1CC(CO)C1(C)C.O=C=O
InChIInChI=1S/C10H18O.C9H16O2.CO2/c1-4-5-8-6-9(7-11)10(8,2)3;1-9(2)7(5-10)4-8(9)6-11-3;2-1-3/h5,9,11H,4,6-7H2,1-3H3;6-7,10H,4-5H2,1-3H3;
InChIKeyKXXPFOMUQUWSQH-UHFFFAOYSA-N
XLogP3.33
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methyl methyl carbonate
CID 159663240
(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene
CID 161112347
(2,2-dimethyl-3-prop-1-enylidenecyclobutyl)methanol
CID 167543453
(2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol
CID 155766086
[2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol
CID 165387213
2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane
CID 167551948
(2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol
CID 59083995
2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol
CID 14380813
2-(2-methyl-3-propylideneoxetan-2-yl)oxyethanol
CID 175420750
cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 45084905
3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one
CID 10997135
methyl 2-[(1R,3E)-3-(2-methoxyethylidene)-2,2-dimethylcyclopentyl]acetate
CID 12973041

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol?
The IUPAC name of carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol (CID 167610195) is carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol.
What is the SMILES notation for carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol?
The canonical SMILES for carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol is CCC=C1CC(CO)C1(C)C.COC=C1CC(CO)C1(C)C.O=C=O.
What is the InChIKey of carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol?
The InChIKey is KXXPFOMUQUWSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C9H16O2.CO2/c1-4-5-8-6-9(7-11)10(8,2)3;1-9(2)7(5-10)4-8(9)6-11-3;2-1-3/h5,9,11H,4,6-7H2,1-3H3;6-7,10H,4-5H2,1-3H3;.
What are the key properties of carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol?
carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol has a molecular weight of 354.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol is sourced from PubChem (CID 167610195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).