(1-isocyanocyclohexyl)methanol

C8H13NO — CID 59893371

IUPAC(1-isocyanocyclohexyl)methanol
SMILES[C-]#[N+]C1(CO)CCCCC1
InChIInChI=1S/C8H13NO/c1-9-8(7-10)5-3-2-4-6-8/h10H,2-7H2
InChIKeyKBCIMPHZNNSLOQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.60
Rot. Bonds1

About (1-isocyanocyclohexyl)methanol

(1-isocyanocyclohexyl)methanol (PubChem CID 59893371) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1-isocyanocyclohexyl)methanol.

Molecular Properties

Compound Name(1-isocyanocyclohexyl)methanol
PubChem CID59893371
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1-isocyanocyclohexyl)methanol
SMILES[C-]#[N+]C1(CO)CCCCC1
InChIInChI=1S/C8H13NO/c1-9-8(7-10)5-3-2-4-6-8/h10H,2-7H2
InChIKeyKBCIMPHZNNSLOQ-UHFFFAOYSA-N
XLogP1.60
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-isocyano-1-methylcyclooctane
CID 163971778
1-(2-isocyanatoethyl)-1-isocyanocyclohexane
CID 141301047
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
(1-bromocyclohexyl)methanol
CID 86185872
(1-bromocycloheptyl)methanol
CID 134992800
(1-methylcyclododecyl)methanol
CID 70130772
(1-aminocyclodecyl)methanol
CID 66910735
1,2-bis(hydroxymethyl)cyclohexane-1,2-diol
CID 154235740
[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
CID 175865144
(1-ethylcycloheptyl)methanol
CID 56982411
[1-(fluoromethyl)cycloheptyl]methanol
CID 84764269
(1-aminocyclopentyl)methanol
CID 157241161

Frequently Asked Questions

What is the IUPAC name of (1-isocyanocyclohexyl)methanol?
The IUPAC name of (1-isocyanocyclohexyl)methanol (CID 59893371) is (1-isocyanocyclohexyl)methanol.
What is the SMILES notation for (1-isocyanocyclohexyl)methanol?
The canonical SMILES for (1-isocyanocyclohexyl)methanol is [C-]#[N+]C1(CO)CCCCC1.
What is the InChIKey of (1-isocyanocyclohexyl)methanol?
The InChIKey is KBCIMPHZNNSLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-8(7-10)5-3-2-4-6-8/h10H,2-7H2.
What are the key properties of (1-isocyanocyclohexyl)methanol?
(1-isocyanocyclohexyl)methanol has a molecular weight of 139.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isocyanocyclohexyl)methanol is sourced from PubChem (CID 59893371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).