(3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol

C9H16O2 — CID 130130412

IUPAC(3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol
SMILESC=C1C(OC)CCC1(C)CO
InChIInChI=1S/C9H16O2/c1-7-8(11-3)4-5-9(7,2)6-10/h8,10H,1,4-6H2,2-3H3
InChIKeyXYHAXMMGHNRBCH-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds2

About (3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol

(3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol (PubChem CID 130130412) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol.

Molecular Properties

Compound Name(3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol
PubChem CID130130412
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol
SMILESC=C1C(OC)CCC1(C)CO
InChIInChI=1S/C9H16O2/c1-7-8(11-3)4-5-9(7,2)6-10/h8,10H,1,4-6H2,2-3H3
InChIKeyXYHAXMMGHNRBCH-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol
CID 14891127
6-methoxy-1,2,3,3-tetramethylcyclohexene
CID 11041115
[(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol
CID 163049441
[(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol
CID 170959154
cis-(2S,5S)-2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohexan-1-one
CID 130926086
6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one
CID 10583057
(1S,4R,7R,9S,11R,14R)-9-ethenyl-6-(hydroxymethyl)-4-methoxy-9,11,14-trimethyltricyclo[5.4.3.01,5]tetradec-5-en-10-one
CID 165059891
methyl 2-[(1R,6R)-6-hydroxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate
CID 11253130
[1-(cyclopropylamino)-3-methoxycyclopentyl]methanol
CID 79647805
(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methyl acetate
CID 155673445
1-[(1R,2S,4S,7R)-2-cyclopentyl-7-methoxy-2-methyl-3-methylidene-1-bicyclo[2.2.1]heptanyl]-3-phenylpropan-1-one
CID 162883414
2-[(1-methyl-2-methylidenecyclohexyl)methyl]prop-2-enoic acid
CID 90257237

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol?
The IUPAC name of (3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol (CID 130130412) is (3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol.
What is the SMILES notation for (3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol?
The canonical SMILES for (3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol is C=C1C(OC)CCC1(C)CO.
What is the InChIKey of (3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol?
The InChIKey is XYHAXMMGHNRBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-8(11-3)4-5-9(7,2)6-10/h8,10H,1,4-6H2,2-3H3.
What are the key properties of (3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol?
(3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol is sourced from PubChem (CID 130130412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).