cyclopropyl-(1-methoxycycloheptyl)methanol

C12H22O2 — CID 116755940

IUPACcyclopropyl-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)C2CC2)CCCCCC1
InChIInChI=1S/C12H22O2/c1-14-12(11(13)10-6-7-10)8-4-2-3-5-9-12/h10-11,13H,2-9H2,1H3
InChIKeyDIJBBVHFGZRHOT-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.50
Rot. Bonds3

About cyclopropyl-(1-methoxycycloheptyl)methanol

cyclopropyl-(1-methoxycycloheptyl)methanol (PubChem CID 116755940) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is cyclopropyl-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Namecyclopropyl-(1-methoxycycloheptyl)methanol
PubChem CID116755940
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namecyclopropyl-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)C2CC2)CCCCCC1
InChIInChI=1S/C12H22O2/c1-14-12(11(13)10-6-7-10)8-4-2-3-5-9-12/h10-11,13H,2-9H2,1H3
InChIKeyDIJBBVHFGZRHOT-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755683
(1-methoxycyclobutyl)-(oxan-4-yl)methanol
CID 116710425
(3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol
CID 116710410
2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol
CID 116755946
(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
CID 116753889
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
CID 116753294
[cyclopropyl-(1-methoxycycloheptyl)methyl]hydrazine
CID 105278128
2-methoxy-1-(1-methoxycyclopentyl)ethanol
CID 104610524
2-hydroxy-2-(1-methoxycyclohexyl)acetic acid
CID 127019982
[(1-methoxycycloheptyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105278264
2-cyclobutyl-1-(1-methoxycyclohexyl)ethanamine
CID 116762657
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-methoxycycloheptyl)methanol?
The IUPAC name of cyclopropyl-(1-methoxycycloheptyl)methanol (CID 116755940) is cyclopropyl-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for cyclopropyl-(1-methoxycycloheptyl)methanol?
The canonical SMILES for cyclopropyl-(1-methoxycycloheptyl)methanol is COC1(C(O)C2CC2)CCCCCC1.
What is the InChIKey of cyclopropyl-(1-methoxycycloheptyl)methanol?
The InChIKey is DIJBBVHFGZRHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-14-12(11(13)10-6-7-10)8-4-2-3-5-9-12/h10-11,13H,2-9H2,1H3.
What are the key properties of cyclopropyl-(1-methoxycycloheptyl)methanol?
cyclopropyl-(1-methoxycycloheptyl)methanol has a molecular weight of 198.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-methoxycycloheptyl)methanol is sourced from PubChem (CID 116755940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).