4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol

C15H30O3 — CID 103035594

IUPAC4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)C1(OC)CCCCCC1
InChIInChI=1S/C15H30O3/c1-14(2,17-3)12-9-13(16)15(18-4)10-7-5-6-8-11-15/h13,16H,5-12H2,1-4H3
InChIKeyAFVJMITUBCTFGP-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.29
Rot. Bonds6

About 4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol

4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol (PubChem CID 103035594) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol
PubChem CID103035594
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)C1(OC)CCCCCC1
InChIInChI=1S/C15H30O3/c1-14(2,17-3)12-9-13(16)15(18-4)10-7-5-6-8-11-15/h13,16H,5-12H2,1-4H3
InChIKeyAFVJMITUBCTFGP-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxiranemethanol, 3-[2-(3,3-dimethyloxiranyl)ethyl]-3-methyl-
CID 10965234
(1-Methoxycycloheptyl)methanol
CID 130591115
(2S,3R)-2-(hydroxymethyl)-3-methyloxepan-3-ol
CID 15260072
(1S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentane-1,4-diol
CID 23244374
(1S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]pentane-1,4-diol
CID 23244375
(3R,4S)-3,7,7-trimethyloxepane-3,4-diol
CID 23244381
(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol
CID 134878459
(1R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentane-1,4-diol
CID 134895800
[(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol
CID 134942519
(1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol
CID 139089673
(4aR,7R,9aS)-2,2,6,6,9a-pentamethyl-3,4,4a,7,8,9-hexahydropyrano[3,2-b]oxepin-7-ol
CID 168306515
1-Methoxy-3,7-dimethyl-2,7-octanediol
CID 86278252

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol?
The IUPAC name of 4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol (CID 103035594) is 4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol.
What is the SMILES notation for 4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol?
The canonical SMILES for 4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol is COC(C)(C)CCC(O)C1(OC)CCCCCC1.
What is the InChIKey of 4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol?
The InChIKey is AFVJMITUBCTFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-14(2,17-3)12-9-13(16)15(18-4)10-7-5-6-8-11-15/h13,16H,5-12H2,1-4H3.
What are the key properties of 4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol?
4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol has a molecular weight of 258.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol is sourced from PubChem (CID 103035594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).