(4-pent-4-ynoxycyclohexyl)methanol

C12H20O2 — CID 106825551

IUPAC(4-pent-4-ynoxycyclohexyl)methanol
SMILESC#CCCCOC1CCC(CO)CC1
InChIInChI=1S/C12H20O2/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h1,11-13H,3-10H2
InChIKeyGRTHRWVFKJXIGY-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.97
Rot. Bonds5

About (4-pent-4-ynoxycyclohexyl)methanol

(4-pent-4-ynoxycyclohexyl)methanol (PubChem CID 106825551) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4-pent-4-ynoxycyclohexyl)methanol.

Molecular Properties

Compound Name(4-pent-4-ynoxycyclohexyl)methanol
PubChem CID106825551
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4-pent-4-ynoxycyclohexyl)methanol
SMILESC#CCCCOC1CCC(CO)CC1
InChIInChI=1S/C12H20O2/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h1,11-13H,3-10H2
InChIKeyGRTHRWVFKJXIGY-UHFFFAOYSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyloxypropan-1-ol
CID 66696145
6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
CID 54433069
5-pent-4-ynoxypent-1-yne
CID 57020380
3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
CID 106825531
[4-(2-methylpropoxy)cyclohexyl]methanol
CID 106825238
N-(cyclopropylmethyl)pent-4-yn-1-amine
CID 115656515
[4-(cyclobutylmethoxy)cyclohexyl]methanol
CID 106825263
[4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol
CID 106825588
[4-(3-methylbut-2-enoxy)cyclohexyl]methanol
CID 106825560
tert-butyl 4-but-3-ynoxycyclohexane-1-carboxylate
CID 176906275
1-piperidin-4-yloxyhept-6-yn-3-one
CID 116572339
4-(3-hydroxypropoxy)cyclohexane-1-carboxylic acid
CID 70832253

Frequently Asked Questions

What is the IUPAC name of (4-pent-4-ynoxycyclohexyl)methanol?
The IUPAC name of (4-pent-4-ynoxycyclohexyl)methanol (CID 106825551) is (4-pent-4-ynoxycyclohexyl)methanol.
What is the SMILES notation for (4-pent-4-ynoxycyclohexyl)methanol?
The canonical SMILES for (4-pent-4-ynoxycyclohexyl)methanol is C#CCCCOC1CCC(CO)CC1.
What is the InChIKey of (4-pent-4-ynoxycyclohexyl)methanol?
The InChIKey is GRTHRWVFKJXIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h1,11-13H,3-10H2.
What are the key properties of (4-pent-4-ynoxycyclohexyl)methanol?
(4-pent-4-ynoxycyclohexyl)methanol has a molecular weight of 196.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pent-4-ynoxycyclohexyl)methanol is sourced from PubChem (CID 106825551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).