(1-methylcyclopropyl)-(oxan-3-yl)methanol

C10H18O2 — CID 107136175

IUPAC(1-methylcyclopropyl)-(oxan-3-yl)methanol
SMILESCC1(C(O)C2CCCOC2)CC1
InChIInChI=1S/C10H18O2/c1-10(4-5-10)9(11)8-3-2-6-12-7-8/h8-9,11H,2-7H2,1H3
InChIKeyYRSUTFLOCPYTCH-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.57
Rot. Bonds2

About (1-methylcyclopropyl)-(oxan-3-yl)methanol

(1-methylcyclopropyl)-(oxan-3-yl)methanol (PubChem CID 107136175) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1-methylcyclopropyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(1-methylcyclopropyl)-(oxan-3-yl)methanol
PubChem CID107136175
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1-methylcyclopropyl)-(oxan-3-yl)methanol
SMILESCC1(C(O)C2CCCOC2)CC1
InChIInChI=1S/C10H18O2/c1-10(4-5-10)9(11)8-3-2-6-12-7-8/h8-9,11H,2-7H2,1H3
InChIKeyYRSUTFLOCPYTCH-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyloxolan-2-yl)-(oxan-3-yl)methanol
CID 107136169
1-[hydroxy(oxan-3-yl)methyl]cyclopentan-1-ol
CID 107136247
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol
CID 79138934
(1-ethoxycyclopentyl)-(oxan-3-yl)methanol
CID 107136224
oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622044
[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-3-yl)methanol
CID 79138848
[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol
CID 79138103
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
3-(oxan-3-yl)pentan-2-ol
CID 107137335
1-fluoro-1-(oxan-3-yl)propan-2-ol
CID 105431923
ethane;3-propan-2-yloxane
CID 143985480
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-(oxan-3-yl)methanol?
The IUPAC name of (1-methylcyclopropyl)-(oxan-3-yl)methanol (CID 107136175) is (1-methylcyclopropyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (1-methylcyclopropyl)-(oxan-3-yl)methanol?
The canonical SMILES for (1-methylcyclopropyl)-(oxan-3-yl)methanol is CC1(C(O)C2CCCOC2)CC1.
What is the InChIKey of (1-methylcyclopropyl)-(oxan-3-yl)methanol?
The InChIKey is YRSUTFLOCPYTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(4-5-10)9(11)8-3-2-6-12-7-8/h8-9,11H,2-7H2,1H3.
What are the key properties of (1-methylcyclopropyl)-(oxan-3-yl)methanol?
(1-methylcyclopropyl)-(oxan-3-yl)methanol has a molecular weight of 170.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 107136175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).